SCHEMBL14397253

SCHEMBL14397253

COc1cc(Cc2cccnc2[S+](C)[O-])c(Br)c2nc(-c3ccc(C(C)C)cc3)n(CCO)c12

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASR P41180 20/20 0.64

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
SCHEMBL2968758 0.92 CASR (0.75) CASR
SCHEMBL14397165 0.89 CASR (0.68) CASR
SCHEMBL14396700 0.86 CASR (0.85) CASR
SCHEMBL14397137 0.85 CASR (0.65) CASR
SCHEMBL2970960 0.84 CASR (0.63) CASR
SCHEMBL2976846 0.82 CASR (0.80) CASR
SCHEMBL2503512 0.81 CASR (0.77) CASR
SCHEMBL13136639 0.80 CASR (0.82) CASR
SCHEMBL2501376 0.80 CASR (0.57) CASR
SCHEMBL2497990 0.78 CASR (0.78) 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-2007112913-A2 BENZIMIDAZOLE DERIVATIVES NOVARTIS AG (CH) 2007-10-11 WO disclosed