SCHEMBL13638506

SCHEMBL13638506

O=C(Nc1ccc(-n2ccc3ccc(S)cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 3/20 0.48
FBP1 P09467 1/20 0.40
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.34
MEN1 O00255 5/20 0.34
LMNA P02545 5/20 0.34
KMT2A Q03164 5/20 0.34
HTT P42858 5/20 0.34
RECQL P46063 2/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
PPARG P37231 1/20 0.32
ALDH1A1 P00352 4/20 0.31
POLB P06746 2/20 0.31
TSHR P16473 1/20 0.31
PTGER3 P43115 1/20 0.31
APP P05067 2/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL9922289 0.91 P2RY12 (0.49) P2RY12FBP1MAPTSMN1; SMN2MEN1
SCHEMBL14113531 0.89 P2RY12 (0.39) P2RY12FBP1LMNAPPARG
SCHEMBL9923157 0.89 P2RY12 (0.48) P2RY12FBP1MAPTSMN1; SMN2MEN1
SCHEMBL9923158 0.89 P2RY12 (0.52) P2RY12FBP1MAPTSMN1; SMN2MEN1
SCHEMBL9923161 0.88 P2RY12 (0.49) P2RY12FBP1MAPTCASP3SENP8
SCHEMBL12177252 0.88 FBP1 (0.43) P2RY12FBP1MAPTMEN1KMT2A
SCHEMBL9923159 0.88 P2RY12 (0.49) P2RY12FBP1MAPTSMN1; SMN2MEN1
SCHEMBL9922294 0.88 P2RY12 (0.47) P2RY12FBP1MAPTMEN1KMT2A
SCHEMBL12177307 0.87 P2RY12 (0.47) P2RY12FBP1MAPTSMN1; SMN2MEN1
SCHEMBL9920083 0.87 P2RY12 (0.49) P2RY12FBP1MAPTSMN1; SMN2MEN1

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 2 patents. 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
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed