SCHEMBL13638604

SCHEMBL13638604

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(N(C)C)ccc4c3=O)nc2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
PPARG P37231 2/20 0.37
RAB9A P51151 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
P2RY12 Q9H244 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CSF1R P07333 6/20 0.34
ORAI1 Q96D31 1/20 0.34
AURKB Q96GD4 1/20 0.33
NOD1 Q9Y239 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 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
SCHEMBL9922579 0.94 P2RY12 (0.43) KMT2APPARGRAB9ARXFP1NR2E3
SCHEMBL13638511 0.88 P2RY12 (0.45) PPARGRAB9ARXFP1NR2E3NCOR2
SCHEMBL12177240 0.87 KMT2A (0.40) KMT2APPARGP2RY12ALDH1A1NOD1
SCHEMBL13638605 0.87 KMT2A (0.38) KMT2APPARGP2RY12ALDH1A1NOD1
SCHEMBL12177306 0.86 KMT2A (0.39) KMT2APPARGP2RY12ALDH1A1NOD1
SCHEMBL12177332 0.85 KMT2A (0.39) KMT2APPARGP2RY12ALDH1A1NOD1
SCHEMBL13638708 0.85 P2RY12 (0.40) KMT2APPARGRAB9ARXFP1NR2E3
SCHEMBL13638699 0.85 P2RY12 (0.47) KMT2APPARGRAB9ARXFP1NR2E3
SCHEMBL12177266 0.85 KMT2A (0.37) KMT2APPARGP2RY12ALDH1A1NOD1
SCHEMBL13182847 0.84 KMT2A (0.38) KMT2APPARGP2RY12ALDH1A1NOD1

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