SCHEMBL13638527

SCHEMBL13638527

Nc1ccc2c(=O)n(-c3ccc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3CF)c(=O)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.45
TP53 P04637 3/20 0.39
RXFP1 Q9HBX9 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HTR3A P46098 3/20 0.33
MAPT P10636 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL13638520 0.88 P2RY12 (0.47) P2RY12TP53RXFP1SMN1; SMN2MAPT
SCHEMBL13638528 0.88 P2RY12 (0.46) P2RY12TP53RXFP1HTR3AMAPT
SCHEMBL6017209 0.85 P2RY12 (0.54) P2RY12TP53RXFP1SMN1; SMN2HTR3A
SCHEMBL9922413 0.78 P2RY12 (0.59) P2RY12TP53RXFP1SMN1; SMN2HTR3A
SCHEMBL13638711 0.78 P2RY12 (0.63) P2RY12SMN1; SMN2MAPTAKR1C3AKR1C2
SCHEMBL9922412 0.77 P2RY12 (0.54) P2RY12TP53RXFP1SMN1; SMN2MAPT
SCHEMBL9922411 0.77 P2RY12 (0.53) P2RY12TP53RXFP1SMN1; SMN2MAPT
SCHEMBL4412345 0.76 P2RY12 (0.49) P2RY12TP53RXFP1SMN1; SMN2HTR3A
SCHEMBL4412669 0.75 P2RY12 (0.70) P2RY12TP53RXFP1SMN1; SMN2MAPT
SCHEMBL13635177 0.74 P2RY12 (0.57) P2RY12TP53RXFP1SMN1; SMN2HTR3A

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