SCHEMBL16640899

SCHEMBL16640899

Cc1ccc(N2CN(c3ccc(N(C)C)cc3)CN(c3ccc(N(C)C)cc3)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.62
TSHR P16473 2/20 0.62
MAPT P10636 7/20 0.57
TDP1 Q9NUW8 4/20 0.57
ALOX15 P16050 3/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
LMNA P02545 3/20 0.57
HSD17B10 Q99714 2/20 0.57
HTT P42858 2/20 0.57
NPC1 O15118 1/20 0.57
USP2 O75604 1/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.57
RAB9A P51151 1/20 0.57
KDM4E B2RXH2 6/20 0.50
GAA P10253 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
ADRB1 P08588 1/20 0.44
THRB P10828 1/20 0.42
MEN1 O00255 2/20 0.40

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
SCHEMBL16633168 0.91 ALDH1A1 (0.55) ALDH1A1TSHRMAPTTDP1ALOX15
SCHEMBL9678667 0.84 ADRB1 (0.56) TSHRMAPTTDP1ALOX15L3MBTL1
SCHEMBL17384394 0.84 SLC2A1 (0.44) ALDH1A1TSHRMAPTTDP1ALOX15
SCHEMBL17366456 0.82 ALDH1A1 (0.53) ALDH1A1TSHRMAPTTDP1ALOX15
SCHEMBL19213224 0.82 ALDH1A1 (0.44) ALDH1A1TSHRMAPTTDP1ALOX15
SCHEMBL19213223 0.80 RELA (0.57) ALDH1A1MAPTALOX15LMNAHTT
SCHEMBL18068758 0.80 ALDH1A1 (0.42) ALDH1A1TSHRMAPTTDP1ALOX15
SCHEMBL20678561 0.79 ALDH1A1 (1.00) ALDH1A1TSHRMAPTTDP1ALOX15
SCHEMBL28378 0.79 ALDH1A1 (1.00) ALDH1A1TSHRMAPTTDP1ALOX15
SCHEMBL17366458 0.79 ALDH1A1 (0.41) ALDH1A1TSHRMAPTTDP1ALOX15

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951184-B2 Methods of preparing polyhemiaminals and polyhexahydrotriazines INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-04-24 US disclosed
US-9598608-B2 Soluble, processable polyhemiaminals and polyhexahydrotriazines INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-03-21 US disclosed
US-9512332-B2 Soluble, processable polyhemiaminals and polyhexahydrotriazines INTERNATIONAL BUSUINESS MACHINES CORPORATION (US) 2016-12-06 US disclosed
US-9388281-B2 Preparation of thioether polymers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-07-12 US disclosed
US-20160083520-A1 METHODS OF PREPARING POLYHEMIAMINALS AND POLYHEXAHYDROTRIAZINES INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-03-24 US disclosed
US-9243107-B2 Methods of preparing polyhemiaminals and polyhexahydrotriazines INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-01-26 US disclosed
US-9228059-B2 Preparation of thioether polymers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-01-05 US disclosed
US-20150376451-A1 SOLUBLE, PROCESSABLE POLYHEMIAMINALS AND POLYHEXAHYDROTRIAZINES INTERNATIONAL BUSINESS MACHINES CORPORATION 2015-12-31 US disclosed
US-20150376442-A1 SOLUBLE, PROCESSABLE POLYHEMIAMINALS AND POLYHEXAHYDROTRIAZINES INTERNATIONAL BUSINESS MACHINES CORPORATION 2015-12-31 US disclosed
US-9206289-B1 Preparation of functional polysulfones INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-12-08 US disclosed
US-20150344629-A1 PREPARATION OF THIOETHER POLYMERS INTERNATIONAL BUSINESS MACHINES CORPORATION 2015-12-03 US disclosed
US-20150344628-A1 PREPARATION OF THIOETHER POLYMERS INTERNATIONAL BUSINESS MACHINES CORPORATION 2015-12-03 US disclosed
US-20150344633-A1 PREPARATION OF FUNCTIONAL POLYSULFONES INTERNATIONAL BUSINESS MACHINES CORPORATION 2015-12-03 US disclosed
US-9139698-B1 Preparation of functional polysulfones INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-09-22 US disclosed
US-9120897-B1 Preparation of thioether polymers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-09-01 US disclosed
US-9120899-B1 Preparation of functional polysulfones INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-09-01 US disclosed
US-20150104579-A1 METHODS OF PREPARING POLYHEMIAMINALS AND POLYHEXAHYDROTRIAZINES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-04-16 US disclosed