SCHEMBL29036632

SCHEMBL29036632

Cc1cc(C)c([N+](=O)[O-])cc1C=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
PRKDC P78527 1/20 0.49
TSHR P16473 4/20 0.44
RECQL P46063 1/20 0.44
ERN1 O75460 4/20 0.43
CYP1A2 P05177 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
GPR35 Q9HC97 2/20 0.39
ALDH3A1 P30838 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL1808550 0.92 ALDH1A1 (0.49) CYP3A4ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL9910897 0.84 CYP3A4 (0.58) CYP3A4ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL2924691 0.83 ERN1 (0.50) CYP3A4ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL18216945 0.83 ALDH1A1 (0.45) CYP3A4ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL11046388 0.83 VCAM1 (0.46) CYP3A4ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL25145164 0.83 VCAM1 (0.50) CYP3A4ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL6358033 0.83 ERN1 (0.47) CYP3A4ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL531943 0.83 ALDH5A1 (0.50) CYP3A4ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL3224329 0.83 ERN1 (0.47) CYP3A4ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL29125349 0.80 ALDH1A1 (0.63) CYP3A4ALDH1A1MAPTHSD17B10KDM4E

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-116056575-A Substituted haloalkylsulfonanilide herbicides FMC公司 2023-05-02 CN disclosed