SCHEMBL29411983

SCHEMBL29411983

N#Cc1ccc([N+](=O)[O-])c(NCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.58
MAPT P10636 10/20 0.57
CYP1A2 P05177 3/20 0.57
CYP3A4 P08684 3/20 0.57
CYP2C9 P11712 3/20 0.57
CYP2C19 P33261 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
SIRT6 Q8N6T7 1/20 0.54
APP P05067 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 2/20 0.51
USP2 O75604 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 2/20 0.48
CYP2D6 P10635 1/20 0.48
CRHBP P24387 1/20 0.48

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
SCHEMBL12498220 0.90 APP (0.59) HTR6MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL12497201 0.88 APP (0.63) HTR6MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL5766147 0.87 HTR6 (0.58) HTR6MAPTMEN1KMT2AHTT
SCHEMBL28493360 0.85 KAT2B (0.55) HTR6MAPTCYP1A2CYP2C9MEN1
SCHEMBL22481564 0.83 MAPT (0.68) HTR6MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL6169109 0.82 MAPT (0.66) MAPTCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL20919464 0.82 MAPT (0.58) HTR6MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL12497420 0.80 APP (0.54) HTR6MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL29525978 0.80 MAPT (0.53) MAPTKMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL6182039 0.80 MAPT (0.53) MAPTKMT2AL3MBTL1ALDH1A1LMNA

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
WO-2022057930-A1 BENZIMIDAZOLE COMPOUND HAVING ENDOTHELIAL LIPASE INHIBITION EFFECT, AND APPLICATION 盐城师范学院 2022-03-24 WO disclosed