SCHEMBL5779199

SCHEMBL5779199

CC(C)c1csc(C=Cc2cncc(N)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.39

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
SCHEMBL27572318 1.00 ALB (0.39) ALB
SCHEMBL5777449 0.81 ALB (0.49) ALB
SCHEMBL9260315 0.81 ALB (0.49) ALB
SCHEMBL5774600 0.76 ALB (0.51) ALB
SCHEMBL5775269 0.74 ALB (0.42) ALB
SCHEMBL27588135 0.71 ALB (0.44) ALB
SCHEMBL5779562 0.71 ALB (0.44) ALB
SCHEMBL9269544 0.71 ALB (0.35) ALB
SCHEMBL9269552 0.71 ALB (0.35) ALB
SCHEMBL9261501 0.70 ALB (0.35) ALB

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 3 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