SCHEMBL8532307

SCHEMBL8532307

Nc1ccc(-c2nc3ccccc3s2)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.67
MMP9 P14780 2/20 0.67
MMP8 P22894 2/20 0.67
MMP2 P08253 1/20 0.67
MMP13 P45452 1/20 0.67
ILK Q13418 1/20 0.57
MAPT P10636 8/20 0.55
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
NFKB1 P19838 3/20 0.55
NFKB2 Q00653 3/20 0.55
RELA Q04206 3/20 0.55
POLB P06746 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.48

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
SCHEMBL1666128 0.88 APP (0.68) APPMMP9MMP8MMP2MMP13
SCHEMBL17086888 0.85 APP (0.65) APPMMP9MMP8MMP2MMP13
SCHEMBL9436073 0.84 APP (0.63) APPMMP9MMP8MMP2MMP13
SCHEMBL2246561 0.84 APP (0.63) APPMMP9MMP8MMP2MMP13
SCHEMBL12687416 0.84 APP (0.63) APPMMP9MMP8MMP2MMP13
SCHEMBL2245276 0.82 APP (0.63) APPMMP9MMP8MMP2MMP13
SCHEMBL8536132 0.81 APP (0.63) APPILKRAB9AMEN1KMT2A
SCHEMBL8052243 0.81 APP (0.55) APPMMP9MMP8MMP2MMP13
SCHEMBL1992041 0.80 APP (1.00) APPMMP9MMP8MMP2MMP13
SCHEMBL4224543 0.80 APP (0.86) 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