SCHEMBL6512388

SCHEMBL6512388

COCCn1c(-c2ccc(C3CC3)cc2)nc2c(Br)ccc(OC)c21.COc1ccc(Br)c2nc(-c3ccc(C4CC4)cc3)n(CCSC)c12

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASR P41180 20/20 0.62

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
SCHEMBL2503452 0.95 CASR (0.54) CASR
SCHEMBL2501291 0.93 CASR (0.70) CASR
SCHEMBL2495811 0.84 CASR (0.71) CASR
SCHEMBL2498829 0.80 CASR (0.52) CASR
SCHEMBL2500686 0.79 CASR (0.77) CASR
SCHEMBL2497026 0.77 CASR (1.00) CASR
SCHEMBL2496713 0.73 CASR (0.54) CASR
SCHEMBL2499480 0.69 CASR (1.00) CASR
SCHEMBL2496037 0.68 CASR (0.82) CASR
SCHEMBL2501937 0.68 CASR (1.00) CASR

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
WO-2005068433-A9 BENZIMIDAZOLE DERIVATIVES NOVARTIS AG (CH) 2005-09-15 WO disclosed