SCHEMBL31361985

SCHEMBL31361985

O=[N+]([O-])c1cc(N2CCCC2)ccc1NCc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.82
CYP1A2 P05177 4/20 0.82
CYP2C9 P11712 4/20 0.82
CYP2C19 P33261 4/20 0.82
CYP3A4 P08684 2/20 0.82
NPSR1 Q6W5P4 2/20 0.82
HTR6 P50406 2/20 0.66
SIRT6 Q8N6T7 1/20 0.66
ALDH1A1 P00352 4/20 0.61
HTT P42858 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
KDM4E B2RXH2 1/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
LMNA P02545 1/20 0.54
MAPK1 P28482 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
SCHEMBL3147203 0.89 SIRT6 (0.83) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2481061 0.82 MAPT (0.86) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL1847175 0.80 SIRT6 (1.00) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2389029 0.80 MAPT (0.80) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL1844704 0.80 HTR6 (1.00) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL10919907 0.80 MAPT (0.64) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL20640023 0.79 MAPT (0.79) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2462482 0.79 MAPT (0.79) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2762465 0.79 MAPT (0.79) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL27943723 0.78 MAPT (0.77) MAPTCYP1A2CYP2C9CYP2C19CYP3A4

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-119409683-A Benzimidazole compound and application thereof 中国药科大学 2025-02-11 CN disclosed