SCHEMBL8532265

SCHEMBL8532265

Nc1c(Br)cc([N+](=O)[O-])cc1-c1nc2cc(Cl)ccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
NPBWR1 P48145 2/20 0.42
ILK Q13418 1/20 0.42
AGPAT2 O15120 3/20 0.40
NQO2 P16083 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
IDO1 P14902 1/20 0.39
MMP13 P45452 2/20 0.38
APP P05067 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARA Q07869 2/20 0.36

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
SCHEMBL8534855 0.85 APP (0.55) GAAALDH1A1CYP3A4ILKNQO2
SCHEMBL8532325 0.83 ILK (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8535715 0.75 APP (0.55) GAAALDH1A1CYP3A4ILKMMP13
SCHEMBL11014769 0.73 EIF4E (0.46) MGAMGAASIMGAM2NPBWR1
SCHEMBL1736089 0.69 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2248504 0.69 APP (0.52) ALDH1A1CYP3A4NPBWR1ILKMMP13
SCHEMBL11015235 0.67 EIF4E (0.45) MGAMGAASIMGAM2AGPAT2
SCHEMBL7258482 0.67 AGPAT2 (0.56) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8532333 0.67 APP (0.64) GAAALDH1A1CYP3A4ILKMMP13
SCHEMBL2001919 0.67 LOXL2 (0.51) ALDH1A1LOXL2IDO1MMP13PPARA

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-0581245-B1 Water-insoluble azo colouring agents CLARIANT GMBH (DE) 1998-12-23 EP disclosed
US-5428136-A Water-insoluble azo colorants having two azo groups and a 1,4-bis (acetoacetylamino) benzene coupling component HOECHST AG (DE) 1995-06-27 US disclosed
EP-0581245-A1 Water-insoluble azo colouring agents HOECHST AKTIENGESELLSCHAFT (DE) 1994-02-02 EP disclosed