SCHEMBL13638649

SCHEMBL13638649

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3cnc4cc(NCCN5CCOCC5)ccc4c3=O)cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.40
ATM Q13315 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MCHR1 Q99705 1/20 0.37
AURKB Q96GD4 2/20 0.36
USP7 Q93009 1/20 0.36
P2RY12 Q9H244 1/20 0.36
NAMPT P43490 1/20 0.36
AURKA O14965 2/20 0.36
CSF1R P07333 1/20 0.36
KIT P10721 1/20 0.36
FLT4 P35916 1/20 0.36
FLT3 P36888 1/20 0.36
CNR1 P21554 1/20 0.36
MAPK14 Q16539 1/20 0.35

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
SCHEMBL14113551 0.93 HRH3 (0.39) MCHR1P2RY12FLT3
SCHEMBL9922139 0.92 P2RY12 (0.43) EPHX2ATMLMNAMAPTSMN1; SMN2
SCHEMBL14228477 0.90 MET (0.39) EPHX2LMNAMCHR1USP7P2RY12
SCHEMBL9922134 0.88 KMT2A (0.47) EPHX2MAPTSMN1; SMN2P2RY12
SCHEMBL12177310 0.88 P2RY12 (0.41) EPHX2LMNAMAPTSMN1; SMN2MCHR1
SCHEMBL13638647 0.87 P2RY12 (0.39) ATMLMNASMN1; SMN2P2RY12
SCHEMBL13182891 0.87 RAD52 (0.40) SMN1; SMN2
SCHEMBL12177094 0.86 MET (0.40) EPHX2SMN1; SMN2FLT3
SCHEMBL12177640 0.85 ESR1 (0.39) ATMLMNAMAPTSMN1; SMN2P2RY12
SCHEMBL9922547 0.85 P2RY12 (0.45) MCHR1P2RY12CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed