SCHEMBL27879458

SCHEMBL27879458

CC(C)Nc1ccc(C(=O)O)cc1C[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 16/20 0.64
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MYC P01106 1/20 0.41
▸ MAX P61244 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
SCHEMBL27879455 0.84 HCAR3 (0.61) HCAR3KMT2AMEN1
SCHEMBL27879476 0.82 HCAR3 (0.66) HCAR3KMT2AMEN1
SCHEMBL4238591 0.78 HCAR3 (1.00) HCAR3KMT2AMEN1
SCHEMBL27502068 0.77 CASP6 (0.50) HCAR3KMT2AMEN1
SCHEMBL27879456 0.77 HCAR3 (0.50) HCAR3KMT2A
SCHEMBL27313061 0.76 TSHR (0.58) HCAR3KMT2AMEN1
Hydrochloric Acid SCHEMBL7428031 0.74 HCAR3 (0.76) HCAR3KMT2AMEN1
SCHEMBL27751980 0.74 POLB (0.50) HCAR3KMT2AMEN1
SCHEMBL27700587 0.74 AKR1C3 (0.46) HCAR3KMT2A
SCHEMBL1538816 0.73 LMNA (0.58) HCAR3

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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