SCHEMBL1762046

SCHEMBL1762046

NCCSCc1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MAPK1 P28482 4/20 0.53
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 1/20 0.53
CYP3A4 P08684 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
ELANE P08246 1/20 0.41
CYP2C9 P11712 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PLA2G1B P04054 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
SCHEMBL12187315 0.80 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL11251526 0.78 SMN1; SMN2 (0.61) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL9509522 0.77 NPC1 (0.66) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL14355159 0.73 SLC11A2 (0.57) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL9866549 0.73 LMNA (0.51) SMN1; SMN2LMNACYP3A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL11704765 0.71 LMNA (0.50) SMN1; SMN2LMNACYP3A4CYP1A2CYP2D6
SCHEMBL9209968 0.71 NPC1 (0.68) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL7624845 0.71 MC4R (0.57) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL21573719 0.70 NPC1 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL68470 0.70 CYP2C19 (0.68) ALDH1A1SMN1; SMN2LMNACYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150177211-A1 Chemical probe compounds that become fluorescent upon reduction, and methods for their use LIFE TECHNOLOGIES CORP (US) 2015-06-25 US disclosed
US-8962853-B2 Chemical probe compounds that become fluorescent upon reduction, and methods for their use Life Technologies Corporation (US) 2015-02-24 US disclosed
US-20140127679-A1 Chemical probe compounds that become fluorescent upon reduction, and methods for their use Life Technologies Corporation (US) 2014-05-08 US disclosed
US-8546580-B2 Chemical probe compounds that become fluorescent upon reduction, and methods for their use Life Technologies Corporation (US) 2013-10-01 US disclosed
EP-1853598-B1 CHEMICAL PROBE COMPOUNDS THAT BECOME FLUORESCENT UPON REDUCTION, AND METHODS FOR THEIR USE LIFE TECHNOLOGIES CORP (US) 2012-11-21 EP disclosed
US-20110117591-A1 CHEMICAL PROBE COMPOUNDS THAT BECOME FLUORESCENT UPON REDUCTION, AND METHODS FOR THEIR USE Life Technologies Corporation (US) 2011-05-19 US disclosed
US-20080254501-A1 CHEMICAL PROBE COMPOUNDS THAT BECOME FLUORESCENT UPON REDUCTION, AND METHODS FOR THEIR USE INVITROGEN CORPORATION (US) 2008-10-16 US disclosed
EP-1853598-A2 CHEMICAL PROBE COMPOUNDS THAT BECOME FLUORESCENT UPON REDUCTION, AND METHODS FOR THEIR USE Molecular Probes, Inc. (US) 2007-11-14 EP disclosed
WO-2006094104-A2 CHEMICAL PROBE COMPOUNDS THAT BECOME FLUORESCENT UPON REDUCTION, AND METHODS FOR THEIR USE MOLECULAR PROBES, INC. (US) 2006-09-08 WO disclosed
US-20060199242-A1 Chemical probe compounds that become fluorescent upon reduction, and methods for their use MOLECULAR PROBES, INC 2006-09-07 US disclosed