SCHEMBL28534643

SCHEMBL28534643

CC(=O)Nc1c(OCc2ccccc2)cc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.57
BRD4 O60885 4/20 0.50
CTSV O60911 3/20 0.47
CTSL P07711 3/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
MYC P01106 1/20 0.44
MAX P61244 1/20 0.44
PTGER1 P34995 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
PPIA P62937 1/20 0.43

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
SCHEMBL1942713 0.86 CYP19A1 (0.57) CYP19A1BRD4CTSVCTSLMEN1
SCHEMBL28516089 0.84 CYP19A1 (0.55) CYP19A1BRD4CTSVCTSLMEN1
SCHEMBL30163675 0.84 CYP19A1 (0.54) CYP19A1BRD4CTSVCTSLMEN1
SCHEMBL3271704 0.84 CYP19A1 (0.54) CYP19A1BRD4CTSVCTSLMEN1
SCHEMBL1137447 0.83 CYP19A1 (0.59) CYP19A1BRD4CTSVCTSLMEN1
SCHEMBL7647175 0.80 CYP19A1 (0.67) CYP19A1BRD4CTSVCTSLMEN1
SCHEMBL7621934 0.79 PIN1 (0.49) CYP19A1CTSVCTSLMEN1KMT2A
SCHEMBL6019028 0.77 CYP19A1 (0.49) CYP19A1BRD4CTSVCTSLMEN1
SCHEMBL28521933 0.77 PIN1 (0.49) CYP19A1CTSVCTSLMEN1KMT2A
SCHEMBL7650190 0.75 CYP19A1 (0.67) CYP19A1BRD4CTSVCTSLMEN1

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-112358450-A Synthesis method of 4- (benzyloxy) -2-methyl-1H-benzo [ d ] imidazole-6-carboxylic acid 南京艾康生物科技有限公司 2021-02-12 CN claimed
CN-112358450-A Synthesis method of 4- (benzyloxy) -2-methyl-1H-benzo [ d ] imidazole-6-carboxylic acid 南京艾康生物科技有限公司 2021-02-12 CN disclosed