SCHEMBL5776876

SCHEMBL5776876

CC(C)c1csc(C=Cc2cccc(C#N)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.47
FBP1 P09467 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
P4HB P07237 5/20 0.39
GRM5 P41594 1/20 0.39
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
RAF1 P04049 1/20 0.36

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
SCHEMBL9641568 1.00 ALB (0.47) ALBFBP1HRH4P4HBGRM5
SCHEMBL9641842 0.94 ALB (0.46) ALBFBP1HRH4P4HBGRM5
SCHEMBL9641837 0.94 ALB (0.46) ALBFBP1HRH4P4HBGRM5
SCHEMBL27569406 0.84 LCK (0.43) ALB
SCHEMBL5778664 0.84 LCK (0.43) ALB
SCHEMBL9260315 0.80 ALB (0.49) ALB
SCHEMBL5777449 0.80 ALB (0.49) ALB
SCHEMBL8304425 0.80 ALB (0.52) ALB
SCHEMBL8304428 0.80 ALB (0.52) ALB
SCHEMBL5775275 0.80 ALB (0.52) ALBFBP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1652839-A2 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-05-03 EP disclosed
EP-1227084-B1 DRUG DISCHARGE PUMP INHIBITORS TRINE PHARMACEUTICALS INC (US) 2005-12-14 EP disclosed
EP-1227084-A1 DRUG DISCHARGE PUMP INHIBITORS Microcide Pharmaceuticals, Inc. (US) 2002-07-31 EP disclosed
EP-0287471-B1 CARBOXYSTYRENE DERIVATIVES AND DRUGS CONTAINING THEM AS EFFECTIVE INGREDIENTS MITSUBISHI KASEI CORPORATION (JP) 1992-09-09 EP disclosed
US-4925861-A LEUKOTRIENE ANTAGONISTS, PHOSPHOLIPASE INHIBITORS MITSUBISHI KASEI CORPORATION (JP) 1990-05-15 US disclosed
EP-0287471-A2 Carboxystyrene derivatives and drugs containing them as effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1988-10-19 EP disclosed