SCHEMBL13638496

SCHEMBL13638496

COc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(C)s3)cn1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 5/20 0.41
NLRP3 Q96P20 2/20 0.40
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KCNA1 Q09470 1/20 0.37
KCNAB1 Q14722 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
CASP1 P29466 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CREBBP Q92793 2/20 0.35
MAPT P10636 2/20 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
SCHEMBL9922817 0.92 FBP1 (0.41) FBP1NLRP3KMT2AMEN1GAA
SCHEMBL9922401 0.91 NLRP3 (0.39) FBP1NLRP3KMT2AMEN1USP2
SCHEMBL9922472 0.88 KMT2A (0.41) FBP1NLRP3KMT2AMEN1GAA
SCHEMBL12161602 0.88 KMT2A (0.41) FBP1NLRP3KMT2AMEN1USP2
SCHEMBL12177069 0.87 BRD4 (0.35) FBP1NLRP3KMT2AMEN1USP2
SCHEMBL14113602 0.86 BRD4 (0.35) FBP1NLRP3KMT2AMEN1USP2
SCHEMBL14228633 0.86 BRD4 (0.34) FBP1NLRP3KMT2AMEN1USP2
SCHEMBL13638555 0.84 P2RY12 (0.38) FBP1NLRP3KMT2AMEN1USP2
SCHEMBL13638556 0.84 P2RY12 (0.35) FBP1NLRP3KMT2AMEN1USP2
SCHEMBL14228332 0.84 HRH3 (0.35) CREBBPBRD4HRH3

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