SCHEMBL11263544

SCHEMBL11263544

COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.56
GAA P10253 3/20 0.56
HTT P42858 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 4/20 0.56
ALDH1A1 P00352 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 3/20 0.56
HPGD P15428 2/20 0.56
RAF1 P04049 1/20 0.56
GFER P55789 1/20 0.56
PAX8 Q06710 1/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SRD5A2 P31213 2/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50

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
SCHEMBL11272626 0.87 ALDH1A1 (0.55) MAPK1GAAHTTNPSR1MAPT
SCHEMBL5073540 0.87 CYP1A2 (0.69) GAAHTTMAPTALDH1A1TDP1
SCHEMBL11575925 0.84 CYP1A2 (0.68) GAAHTTMAPTALDH1A1LMNA
SCHEMBL11272622 0.84 ALDH1A1 (0.51) MAPK1GAAHTTNPSR1MAPT
SCHEMBL16550142 0.83 L3MBTL1 (0.71) MAPK1GAAHTTMAPTALDH1A1
SCHEMBL29435299 0.81 MAPT (0.67) MAPK1GAAHTTNPSR1MAPT
SCHEMBL512092 0.81 MAPT (0.67) MAPK1GAAHTTNPSR1MAPT
SCHEMBL11272623 0.81 TDP1 (0.54) MAPK1NPSR1MAPTALDH1A1TDP1
SCHEMBL11095128 0.80 ALDH1A1 (0.73) MAPK1GAAHTTNPSR1MAPT
SCHEMBL9365255 0.80 CYP1A2 (0.67) MAPK1GAAHTTMAPTALDH1A1

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
US-4337256-A ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) 1982-06-29 US disclosed
US-4323691-A Hydroxyaminomethyl derivatives of benzoyl di-substituted α-phenoxyalkanoyl esters ABBOTT LABORATORIES (US) 1982-04-06 US disclosed