SCHEMBL653703

SCHEMBL653703

O=C(O)Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(NC(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
PTPN1 P18031 2/20 0.47
EPHX2 P34913 3/20 0.46
TP53 P04637 1/20 0.46
EPHX1 P07099 1/20 0.46
TSHR P16473 1/20 0.46
CDK9 P50750 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15861681 0.84 NR3C2 (0.56) RAB9ANPC1SMN1; SMN2MAPTEPHX2
Hydrogen Sulfide SCHEMBL6790282 0.82 NPC1 (0.69) RAB9ANPC1SMN1; SMN2MAPTPTPN1
SCHEMBL2090691 0.81 NR1H4 (0.65) RAB9ANPC1SMN1; SMN2MAPTEPHX2
Benzene SCHEMBL28162617 0.79 EPHX2 (0.70) RAB9ANPC1SMN1; SMN2MAPTPTPN1
SCHEMBL7634 0.79 EPHX2 (0.70) RAB9ANPC1SMN1; SMN2MAPTPTPN1
SCHEMBL10778839 0.79 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2MAPTPTPN1
SCHEMBL11425757 0.78 DEGS1 (0.71) RAB9ANPC1PTPN1HDAC2HDAC8
SCHEMBL22862152 0.78 ALDH1A1 (0.68) SMN1; SMN2MAPTMEN1KMT2AKDM4E
Iodide SCHEMBL5706290 0.77 EPHX2 (0.67) RAB9ANPC1SMN1; SMN2MAPTPTPN1
Bromide SCHEMBL5706299 0.77 EPHX2 (0.67) RAB9ANPC1SMN1; SMN2MAPTPTPN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426545-B2 Polymers containing borane or carborane cage compounds and related applications HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC (US) 2013-04-23 US claimed
US-20120231194-A1 POLYMERS CONTAINING BORANE OR CARBORANE CAGE COMPOUNDS AND RELATED APPLICATIONS HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES LLC (US) 2012-09-13 US claimed
US-8193292-B2 Polymers containing borane or carborane cage compounds and related applications HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC (US) 2012-06-05 US claimed
US-20110046253-A1 POLYMERS CONTAINING BORANE OR CARBORANE CAGE COMPOUNDS AND RELATED APPLICATIONS HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC (US) 2011-02-24 US claimed
US-9428629-B2 Use of Li2[B12H12] salt to absorb water into polymers HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC (US) 2016-08-30 US disclosed
US-9133324-B2 Compositions containing borane or carborane cage compounds and related applications HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC (US) 2015-09-15 US disclosed
US-20150065609-A1 COMPOSITIONS CONTAINING BORANE OR CARBORANE CAGE COMPOUNDS AND RELATED APPLICATIONS HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC 2015-03-05 US disclosed
US-8883895-B2 Compositions containing borane or carborane cage compounds and related applications HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC (US) 2014-11-11 US disclosed
US-8664629-B2 Boron cage compound materials and composites for shielding and absorbing neutrons HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC (US) 2014-03-04 US disclosed
US-8450404-B2 Compositions containing borane or carborane cage compounds and related applications HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC (US) 2013-05-28 US disclosed
US-8426545-B2 Polymers containing borane or carborane cage compounds and related applications HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC (US) 2013-04-23 US disclosed
US-20130072604-A1 COMPOSITIONS CONTAINING BORANE OR CARBORANE CAGE COMPOUNDS AND RELATED APPLICATIONS HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC (US) 2013-03-21 US disclosed
US-20120231194-A1 POLYMERS CONTAINING BORANE OR CARBORANE CAGE COMPOUNDS AND RELATED APPLICATIONS HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES LLC (US) 2012-09-13 US disclosed
US-8193292-B2 Polymers containing borane or carborane cage compounds and related applications HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC (US) 2012-06-05 US disclosed
US-20120043502-A1 USE OF Li2[B12H12] SALT TO ABSORB WATER INTO POLYMERS HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC (US) 2012-02-23 US disclosed
US-20120043483-A1 BORON CAGE COMPOUND MATERIALS AND COMPOSITES FOR SHIELDING AND ABSORBING NEUTRONS HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC (US) 2012-02-23 US disclosed
US-20110046253-A1 POLYMERS CONTAINING BORANE OR CARBORANE CAGE COMPOUNDS AND RELATED APPLICATIONS HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC (US) 2011-02-24 US disclosed
US-20100317777-A1 COMPOSITIONS CONTAINING BORANE OR CARBORANE CAGE COMPOUNDS AND RELATED APPLICATIONS HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC (US) 2010-12-16 US disclosed