SCHEMBL9260606

SCHEMBL9260606

O=C(O)c1cc2ccccc2n1-c1ccc(CBr)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.72
▸ TSHR P16473 1/20 0.72
▸ CCR2 P41597 4/20 0.51
▸ DAO P14920 1/20 0.50
▸ PLA2G10 O15496 8/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ CYP1A2 P05177 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PTGES O14684 1/20 0.42
▸ HAO1 Q9UJM8 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 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
SCHEMBL9428197 0.86 ALDH1A1 (0.63) ALDH1A1TSHRCCR2DAOPLA2G10
SCHEMBL30194196 0.85 ALDH1A1 (1.00) ALDH1A1TSHRCCR2DAOPLA2G10
SCHEMBL5208338 0.85 ALDH1A1 (1.00) ALDH1A1TSHRCCR2DAOPLA2G10
SCHEMBL9149430 0.81 ALDH1A1 (0.79) ALDH1A1TSHRCCR2DAOPLA2G10
SCHEMBL5421995 0.81 ALDH1A1 (0.79) ALDH1A1TSHRCCR2DAOPLA2G10
SCHEMBL9260948 0.81 ALDH1A1 (0.79) ALDH1A1TSHRCCR2DAOPLA2G10
SCHEMBL3957422 0.81 ALDH1A1 (0.79) ALDH1A1TSHRCCR2DAOPLA2G10
SCHEMBL5434782 0.79 ALDH1A1 (0.77) ALDH1A1TSHRCCR2DAOPLA2G10
SCHEMBL5247396 0.79 ALDH1A1 (0.76) ALDH1A1TSHRCCR2DAOPLA2G10
Dimethylamine SCHEMBL4930574 0.79 ALDH1A1 (0.87) ALDH1A1TSHRCCR2DAOPLA2G10

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
US-5466704-A N-substituted imidazole and benzimidazole derivatives useful as angiotenson II antagonists E. R. SQUIBB & SONS, INC. (US) 1995-11-14 — — US disclosed
EP-0501269-A1 Imidazole and benzimidazole derivatives E.R. SQUIBB & SONS, INC. (US) 1992-09-02 — — EP disclosed
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