SCHEMBL328669

SCHEMBL328669

C=S(=O)(NC(=O)Nc1ccc(-n2c(=O)[nH]c3cc(NC)c(F)cc3c2=O)cc1)c1ccc(Cl)s1

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.87
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 2/20 0.32
RECQL P46063 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
TP53 P04637 2/20 0.32
F10 P00742 1/20 0.31
TOP2A P11388 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR3A P46098 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
Elinogrel SCHEMBL31722301 0.93 P2RY12 (1.00) P2RY12CA12CA9MAPTLMNA
Elinogrel SCHEMBL160663 0.93 P2RY12 (1.00) P2RY12CA12CA9MAPTLMNA
Elinogrel SCHEMBL27718842 0.92 P2RY12 (0.98) P2RY12CA12CA9MAPTLMNA
Potassium Ion SCHEMBL31054166 0.85 P2RY12 (0.75) P2RY12CA12CA9MAPTLMNA
Potassium Ion SCHEMBL195283 0.85 P2RY12 (0.75) P2RY12CA12CA9MAPTLMNA
SCHEMBL9887822 0.85 P2RY12 (0.75) P2RY12CA12CA9MAPTLMNA
SCHEMBL9922648 0.85 P2RY12 (0.85) P2RY12CA12CA9MAPTLMNA
SCHEMBL15494787 0.84 P2RY12 (0.84) P2RY12CA12CA9MAPTLMNA
SCHEMBL682018 0.84 P2RY12 (0.84) P2RY12CA12CA9MAPTLMNA
SCHEMBL9922634 0.83 P2RY12 (0.82) P2RY12CA12CA9MAPTLMNA

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
EP-2428514-A1 [4-(6-halo-7-substituted-2,4-dioxo-1,4-dihydro-2h-quinazolin-3-yl)-phenyl]-5-chloro-thiophen-2-yl-sulfonylureas and forms and methods related thereto Portola Pharmaceuticals, Inc. (US) 2012-03-14 EP disclosed
WO-2008137753-A2 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR PORTOLA PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed