SCHEMBL8534855

SCHEMBL8534855

Nc1c(Br)cc([N+](=O)[O-])cc1-c1nc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.55
MMP9 P14780 2/20 0.55
MMP8 P22894 2/20 0.55
MMP2 P08253 1/20 0.55
MMP13 P45452 1/20 0.55
ILK Q13418 3/20 0.48
MAPT P10636 7/20 0.48
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
TDP1 Q9NUW8 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
GAA P10253 2/20 0.48
NQO2 P16083 1/20 0.47
NPSR1 Q6W5P4 4/20 0.47
MAPK1 P28482 2/20 0.47

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
SCHEMBL8535715 0.85 APP (0.55) APPMMP9MMP8MMP2MMP13
SCHEMBL8532265 0.85 MGAM (0.48) APPMMP9MMP8MMP2MMP13
SCHEMBL8532333 0.82 APP (0.64) APPMMP9MMP8MMP2MMP13
SCHEMBL7192656 0.77 MMP13 (0.56) APPMMP9MMP8MMP2MMP13
SCHEMBL8433475 0.76 APP (0.76) APPMMP9MMP8MMP2MMP13
SCHEMBL2243418 0.76 MMP13 (0.63) APPMMP9MMP8MMP2MMP13
SCHEMBL2248521 0.76 EGFR (0.63) APPMMP9MMP8MMP2MMP13
SCHEMBL30844008 0.76 EGFR (0.63) APPMMP9MMP8MMP2MMP13
SCHEMBL1982194 0.74 APP (0.64) APPMMP9MMP8MMP2MMP13
SCHEMBL4784061 0.73 MMP13 (0.63) APPMMP9MMP8MMP2MMP13

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