SCHEMBL8405261

SCHEMBL8405261

O=[N+]([O-])c1ccc(-c2nc3ccccc3s2)c(Cl)c1.O=[N+]([O-])c1cccc(-c2nc3ccccc3s2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.60
MMP2 P08253 1/20 0.60
MMP9 P14780 1/20 0.60
MMP8 P22894 1/20 0.60
MMP13 P45452 1/20 0.60
MAPT P10636 8/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
MAPK1 P28482 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 4/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 1/20 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
SCHEMBL4784061 0.92 MMP13 (0.63) APPMMP2MMP9MMP8MMP13
SCHEMBL8396940 0.88 APP (0.72) APPMMP2MMP9MMP8MMP13
SCHEMBL2243418 0.82 MMP13 (0.63) APPMMP2MMP9MMP8MMP13
SCHEMBL1982194 0.78 APP (0.64) APPMMP2MMP9MMP8MMP13
SCHEMBL8433475 0.78 APP (0.76) APPMMP2MMP9MMP8MMP13
SCHEMBL12980741 0.78 SMN1; SMN2 (0.65) MMP2MMP9MMP8MMP13MAPT
SCHEMBL12422162 0.77 MMP13 (0.63) APPMMP2MMP9MMP8MMP13
SCHEMBL2248504 0.77 APP (0.52) APPMMP2MMP9MMP8MMP13
SCHEMBL13178577 0.77 APP (0.67) APPMMP2MMP9MMP8MMP13
SCHEMBL8535715 0.77 APP (0.55) APPMMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721336-B1 BENZAZOLE COMPOUNDS FOR USE IN THERAPY CANCER RES CAMPAIGN TECH (GB) 1999-07-14 EP disclosed