SCHEMBL13633837

SCHEMBL13633837

O=C(Nc1ccc(-n2cnc3cc(NCCCC4CCCC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.40
GCK P35557 7/20 0.35
FBP1 P09467 1/20 0.34
EGFR P00533 2/20 0.33
MET P08581 2/20 0.33
CHRM5 P08912 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
GSAP A4D1B5 1/20 0.32
PSEN1 P49768 4/20 0.32
PSEN2 P49810 4/20 0.32
APH1B Q8WW43 4/20 0.32
NCSTN Q92542 4/20 0.32
APH1A Q96BI3 4/20 0.32
PSENEN Q9NZ42 4/20 0.32
APP P05067 2/20 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
SCHEMBL9922944 0.90 P2RY12 (0.42) P2RY12GCKFBP1CHRM5SLC22A12
SCHEMBL9922548 0.88 P2RY12 (0.41) P2RY12FBP1EGFRMETPSEN1
SCHEMBL9922555 0.88 P2RY12 (0.40) P2RY12EGFRMETPSEN1PSEN2
SCHEMBL9922946 0.87 P2RY12 (0.46) P2RY12FBP1METPSEN1PSEN2
SCHEMBL9923178 0.87 P2RY12 (0.43) P2RY12FBP1EGFRMETPSEN1
SCHEMBL12161337 0.87 P2RY12 (0.43) P2RY12FBP1METCHRM5APP
SCHEMBL9923188 0.86 P2RY12 (0.46) P2RY12FBP1METCHRM5PSEN1
SCHEMBL9923191 0.86 P2RY12 (0.43) P2RY12FBP1EGFRMETPSEN1
SCHEMBL9923184 0.86 P2RY12 (0.44) P2RY12FBP1CHRM5SLC22A12GSAP
SCHEMBL12161343 0.85 P2RY12 (0.44) P2RY12FBP1

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 2 patents. 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
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed