SCHEMBL7544792

SCHEMBL7544792

COC(=O)Nc1ccc(OCc2nc3cc(Cl)ccc3o2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 3/20 0.51
ANO1 Q5XXA6 1/20 0.46
MAPT P10636 4/20 0.46
RXFP1 Q9HBX9 1/20 0.45
CETP P11597 4/20 0.44
ALOX5 P09917 3/20 0.44
EPHX2 P34913 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 2/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL7541140 0.91 LMNA (0.53) AGPAT2ANO1MAPTRXFP1CETP
SCHEMBL7541510 0.91 AGPAT2 (0.50) AGPAT2MAPTRXFP1ALOX5EPHX2
SCHEMBL7547607 0.90 MAPT (0.46) AGPAT2MAPTRXFP1ALOX5EPHX2
SCHEMBL7545106 0.88 CEPT1 (0.42) AGPAT2MAPTRXFP1ALOX5EPHX2
SCHEMBL7547344 0.87 ALOX5AP (0.43) AGPAT2MAPTRXFP1ALOX5EPHX2
SCHEMBL7541413 0.87 LMNA (0.47) AGPAT2MAPTALOX5EPHX2LMNA
SCHEMBL7543732 0.85 AGPAT2 (0.58) AGPAT2MAPTRXFP1CETPSMN1; SMN2
SCHEMBL7543714 0.85 AGPAT2 (0.48) AGPAT2MAPTRXFP1CETPLMNA
SCHEMBL7541091 0.85 ALOX5 (0.44) AGPAT2MAPTCETPALOX5EPHX2
SCHEMBL7550333 0.85 MAPT (0.46) AGPAT2MAPTALOX5EPHX2SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 EP disclosed
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed