SCHEMBL27879455

SCHEMBL27879455

CNc1ccc(C(=O)O)cc1C[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 15/20 0.61
▸ MAPT P10636 1/20 0.50
▸ CDC25B P30305 1/20 0.49
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44

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
SCHEMBL27845365 0.85 HCAR3 (0.58) HCAR3MAPTCDC25BKMT2AMEN1
SCHEMBL27879476 0.85 HCAR3 (0.66) HCAR3MAPTKMT2AMEN1
SCHEMBL27879458 0.84 HCAR3 (0.64) HCAR3KMT2AMEN1
SCHEMBL27894392 0.80 HCAR3 (0.54) HCAR3MAPTKMT2AMEN1
SCHEMBL27502068 0.80 CASP6 (0.50) HCAR3KMT2AMEN1
SCHEMBL27879456 0.80 HCAR3 (0.50) HCAR3MAPTKMT2A
SCHEMBL27313061 0.80 TSHR (0.58) HCAR3MAPTKMT2AMEN1
SCHEMBL27751980 0.78 POLB (0.50) HCAR3MAPTKMT2AMEN1
SCHEMBL27700587 0.77 AKR1C3 (0.46) HCAR3MAPTKMT2A
SCHEMBL10487799 0.76 TSHR (0.52) HCAR3MAPTKMT2AMEN1

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 3 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-103402987-A 6-Amino-2-phenylamino-1H-benzimidazole-5-carboxamide derivatives and their use as microsomal prostaglandin E2 synthase-1 inhibitors BOEHRINGER INGELHEIM INT 2013-11-20 — — 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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