SCHEMBL14247641

SCHEMBL14247641

Nc1nc2cc(Br)ccc2n1CC1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.47
CNR1 P21554 2/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL14247646 0.88 BRD4 (0.42) CNR2BRD4
SCHEMBL3779780 0.85 BACE1 (0.52) CNR2
SCHEMBL4000754 0.81 CNR2 (0.68) CNR2CNR1
SCHEMBL14466814 0.80 PIK3CA (0.43) CNR2CNR1BRD4
SCHEMBL3999287 0.80 CNR2 (0.57) CNR2CNR1
SCHEMBL20641274 0.80 AURKA (0.47) BRD4
SCHEMBL18650914 0.76 BRD4 (0.46) CNR2CNR1BRD4
SCHEMBL14317279 0.72 BRD4 (0.42) CNR2BRD4
SCHEMBL12290596 0.72 CNR2 (0.48) CNR2CNR1
SCHEMBL1609531 0.72 CNR2 (0.68) CNR2CNR1

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
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed