SCHEMBL9260822

SCHEMBL9260822

N#Cc1cccc2ccn(-c3ccc(CCl)cc3)c12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BIRC5 O15392 1/20 0.33
▸ APP P05067 2/20 0.33
▸ CYP19A1 P11511 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ SNCA P37840 1/20 0.30

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
SCHEMBL9272694 0.86 VHL (0.40) BIRC5APPCYP19A1SCN9ACA1
SCHEMBL9264222 0.76 XDH (0.46) —
SCHEMBL15374934 0.74 SCN9A (0.53) CYP19A1SCN9A
SCHEMBL5485099 0.70 BIRC5 (0.66) BIRC5CYP19A1
SCHEMBL30175561 0.67 RAB9A (0.43) —
SCHEMBL30175560 0.67 MAP3K8 (0.41) —
SCHEMBL17069069 0.66 XDH (0.39) CA1CA2
SCHEMBL7848653 0.66 CA1 (0.39) APPCYP19A1CA1CA2
SCHEMBL2872955 0.65 KMT2A (0.51) APPCA1CA2SNCA
SCHEMBL21725642 0.63 HTR2A (0.36) CYP19A1CA1CA2

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
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
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