SCHEMBL13633750

SCHEMBL13633750

CS(=O)Oc1ccc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 3/20 0.45
FBP1 P09467 1/20 0.34
F10 P00742 3/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 1/20 0.32
GSAP A4D1B5 1/20 0.32
APP P05067 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
GALR3 O60755 1/20 0.30

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
SCHEMBL9922635 0.91 P2RY12 (0.47) P2RY12FBP1F10AKR1C3AKR1C2
SCHEMBL13633774 0.88 P2RY12 (0.46) P2RY12FBP1AKR1C3AKR1C2MAPT
SCHEMBL9922636 0.87 P2RY12 (0.48) P2RY12FBP1F10MAPTMEN1
SCHEMBL12177421 0.87 P2RY12 (0.49) P2RY12FBP1F10MAPTMEN1
SCHEMBL9922108 0.87 P2RY12 (0.48) P2RY12FBP1F10MAPTMEN1
SCHEMBL9922106 0.87 P2RY12 (0.48) P2RY12FBP1F10AKR1C3AKR1C2
SCHEMBL9922120 0.85 P2RY12 (0.47) P2RY12FBP1F10MAPTMEN1
SCHEMBL12177307 0.85 P2RY12 (0.47) P2RY12FBP1F10MAPTMEN1
SCHEMBL9923144 0.85 P2RY12 (0.47) P2RY12FBP1F10AKR1C3AKR1C2
SCHEMBL9922644 0.85 P2RY12 (0.47) P2RY12FBP1F10MAPTMEN1

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