SCHEMBL1675749

SCHEMBL1675749

NC(=O)C(Cc1ccc(N2CCCCC2=O)cc1)c1ccc2[nH]c(-c3ccc(Br)s3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 17/20 0.49
▸ TSHR P16473 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ CDK2 P24941 1/20 0.34

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
SCHEMBL3864129 0.80 F10 (0.59) F10CDK2
SCHEMBL3865235 0.80 F10 (0.72) F10CDK2
SCHEMBL3867575 0.71 F10 (0.64) F10TSHR
SCHEMBL3861689 0.70 F10 (0.69) F10
SCHEMBL3864135 0.70 F10 (0.65) F10
SCHEMBL3866715 0.70 F10 (0.88) F10CDK2
SCHEMBL3864158 0.70 F10 (0.72) F10TSHRCDK2
SCHEMBL3866380 0.69 F10 (0.60) F10
SCHEMBL3866098 0.69 F10 (0.88) F10CDK2
SCHEMBL3864977 0.69 F10 (0.73) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4668614-B2 — — 2011-04-13 — — JP claimed
JP-2006500369-A — — 2006-01-05 — — JP claimed
EP-1558247-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GmbH (DE) 2005-08-03 — — EP claimed
WO-2004017963-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2004-03-04 — — WO claimed
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