SCHEMBL13638520

SCHEMBL13638520

Cc1cc(C(=O)NS(=O)(=O)c2ccc(Cl)s2)ccc1-n1c(=O)[nH]c2cc(N)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.47
TP53 P04637 4/20 0.37
RXFP1 Q9HBX9 3/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 4/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTR7 P34969 4/20 0.34
GALR3 O60755 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL9922412 0.89 P2RY12 (0.54) P2RY12TP53RXFP1MAPTKMT2A
SCHEMBL13638527 0.88 P2RY12 (0.45) P2RY12TP53RXFP1MAPTKMT2A
SCHEMBL6017209 0.87 P2RY12 (0.54) P2RY12TP53RXFP1MAPTKMT2A
SCHEMBL9922413 0.80 P2RY12 (0.59) P2RY12TP53RXFP1MAPTKMT2A
SCHEMBL9922411 0.79 P2RY12 (0.53) P2RY12TP53RXFP1MAPTKMT2A
SCHEMBL13638528 0.79 P2RY12 (0.46) P2RY12TP53RXFP1MAPT
SCHEMBL9922899 0.78 P2RY12 (0.64) P2RY12MAPTKMT2AGAAMEN1
SCHEMBL13635285 0.77 P2RY12 (0.63) P2RY12TP53RXFP1MAPTKMT2A
SCHEMBL4412669 0.77 P2RY12 (0.70) P2RY12TP53RXFP1MAPTKMT2A
SCHEMBL13634952 0.76 P2RY12 (0.54) P2RY12TP53RXFP1MAPTKMT2A

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