SCHEMBL13638362

SCHEMBL13638362

CNc1cc2c(cc1Br)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(C)s3)cc1)C(=O)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.40
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
GAA P10253 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NLRP3 Q96P20 3/20 0.32
KCNA1 Q09470 3/20 0.32
KCNAB1 Q14722 3/20 0.32
TLR9 Q9NR96 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FBP1 P09467 2/20 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
SCHEMBL9923115 0.91 P2RY12 (0.49) P2RY12MEN1KMT2AGAASMN1; SMN2
SCHEMBL13638364 0.90 P2RY12 (0.40) P2RY12BRD4CREBBPMEN1KMT2A
SCHEMBL12177059 0.88 P2RY12 (0.39) P2RY12BRD4CREBBPMEN1KMT2A
SCHEMBL13638556 0.88 P2RY12 (0.35) P2RY12BRD4CREBBPMEN1KMT2A
SCHEMBL9922807 0.87 P2RY12 (0.40) P2RY12MEN1KMT2AGAASMN1; SMN2
SCHEMBL14113565 0.85 GAA (0.38) P2RY12BRD4CREBBPMEN1KMT2A
SCHEMBL13638361 0.83 KMT2A (0.50) BRD4CREBBPMEN1KMT2AGAA
SCHEMBL9923113 0.83 P2RY12 (0.51) P2RY12MEN1KMT2AGAASMN1; SMN2
SCHEMBL9922425 0.82 BRD4 (0.37) P2RY12BRD4CREBBPMEN1KMT2A
SCHEMBL9922318 0.82 P2RY12 (0.45) P2RY12MEN1KMT2ASMN1; SMN2ALDH1A1

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