SCHEMBL27879476

SCHEMBL27879476

CCNc1ccc(C(=O)O)cc1C[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 14/20 0.66
▸ MAPT P10636 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ GFER P55789 1/20 0.56
▸ PLEC Q15149 1/20 0.56
▸ KMT2A Q03164 2/20 0.45
▸ CASP6 P55212 1/20 0.44
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL27879455 0.85 HCAR3 (0.61) HCAR3MAPTKMT2AMEN1
SCHEMBL27879456 0.83 HCAR3 (0.50) HCAR3MAPTALDH1A1KMT2A
SCHEMBL27894389 0.83 ALDH1A1 (0.68) HCAR3MAPTKDM4EALDH1A1GAA
SCHEMBL27879458 0.82 HCAR3 (0.64) HCAR3KMT2AMEN1
SCHEMBL24032 0.79 HCAR3 (1.00) HCAR3MAPTALDH1A1HTTKMT2A
Hydrochloric Acid SCHEMBL1602524 0.78 HCAR3 (0.97) HCAR3MAPTALDH1A1HTTKMT2A
SCHEMBL27502068 0.78 CASP6 (0.50) HCAR3KMT2ACASP6MEN1
SCHEMBL27313061 0.77 TSHR (0.58) HCAR3MAPTALDH1A1KMT2ACASP6
SCHEMBL17938280 0.77 ALDH1A1 (0.68) HCAR3MAPTKDM4EALDH1A1GAA
SCHEMBL27751980 0.75 POLB (0.50) HCAR3MAPTKDM4EGAAHTT

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
CN-102762101-B Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof HIGH POINT PHARMACEUTICALS LLC 2014-09-17 — — CN disclosed
CN-102762101-A Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof HIGH POINT PHARMACEUTICALS LLC 2012-10-31 — — CN disclosed
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