SCHEMBL7544776

SCHEMBL7544776

O=[N+]([O-])c1ccc(O)c(Cc2nc3ccccc3s2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
KMT2A Q03164 5/20 0.67
ALDH1A1 P00352 4/20 0.67
KDM4E B2RXH2 3/20 0.67
MEN1 O00255 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
HTT P42858 2/20 0.67
LMNA P02545 1/20 0.67
POLB P06746 1/20 0.67
GAA P10253 1/20 0.67
AKR1B1 P15121 2/20 0.50
MMP13 P45452 2/20 0.49
APP P05067 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALOX15 P16050 2/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL7545036 0.85 KMT2A (0.47) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL1995083 0.83 MAPT (0.53) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL9694766 0.81 MAPT (0.62) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL27661443 0.79 APP (0.52) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL3203107 0.77 RIPK1 (0.51) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL13790880 0.77 MAPT (0.73) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL30844008 0.76 EGFR (0.63) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL2248521 0.76 EGFR (0.63) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL1999251 0.75 MAPT (0.49) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL51277 0.75 GPR35 (0.60) MAPTKMT2AALDH1A1MEN1L3MBTL1

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 7 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
CN-1073097-C Aniline derivatives having herbicidal activity their prepn. and their use SANKYO CO (JP) 2001-10-17 CN disclosed
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed
CN-1176962-A Aniline derivatives having herbicidal activity their prepn. and their use SANKYO CO (JP) 1998-03-25 CN disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed
EP-0259254-B1 PHENOLIC BENZOTHIAZOLE DERIVATIVES AND THEIR USE AS CORROSION INHIBITORS CIBA-GEIGY AG (CH) 1991-04-17 EP disclosed
EP-0259254-A1 Phenolic benzothiazole derivatives and their use as corrosion inhibitors CIBA-GEIGY AG (CH) 1988-03-09 EP disclosed