SCHEMBL29830207

SCHEMBL29830207

N#Cc1ccc([N+](=O)[O-])cc1NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.61
▸ MAPT P10636 7/20 0.61
▸ KMT2A Q03164 7/20 0.61
▸ CRHBP P24387 3/20 0.61
▸ CRHR2 Q13324 3/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ GAA P10253 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ PRKACA P17612 1/20 0.54
▸ CDK8 P49336 1/20 0.54

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
SCHEMBL9386448 0.79 MAPT (0.67) MEN1MAPTKMT2ACRHBPCRHR2
SCHEMBL6068061 0.79 MAPT (0.58) MEN1MAPTKMT2AGAAKDM4E
SCHEMBL9395569 0.77 MAPT (0.72) MEN1MAPTKMT2ACRHBPCRHR2
SCHEMBL2061095 0.77 RECQL (0.58) KMT2AGAATSHRSMN1; SMN2ALDH1A1
SCHEMBL3750282 0.76 MEN1 (0.70) MEN1MAPTKMT2ACRHBPCRHR2
SCHEMBL28427495 0.76 MAPT (0.71) MEN1MAPTKMT2ACRHBPCRHR2
SCHEMBL9395627 0.76 MAPT (0.70) MEN1MAPTKMT2ACRHBPCRHR2
SCHEMBL2059682 0.76 MAPT (1.00) MEN1MAPTKMT2ACRHBPCRHR2
SCHEMBL6815029 0.76 KMT2A (0.70) MEN1MAPTKMT2ACRHBPCRHR2
SCHEMBL12497079 0.76 KDM4E (0.66) MEN1KMT2ACRHBPCRHR2CYP1A2

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
CN-111978301-B Benzimidazole compound with endothelial lipase inhibition effect and application thereof 盐城师范学院 2022-08-02 — — CN disclosed
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