SCHEMBL8052243

SCHEMBL8052243

NC(=O)Cc1ccc(-c2nc3ccccc3s2)cc1[N+](=O)[O-]

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
RAB9A P51151 8/20 0.51
NPC1 O15118 7/20 0.51
NFKB1 P19838 4/20 0.51
NFKB2 Q00653 4/20 0.51
RELA Q04206 4/20 0.51
HPGD P15428 2/20 0.51
STAT1 P42224 1/20 0.51
MAPT P10636 7/20 0.51
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 5/20 0.48
TP53 P04637 4/20 0.48
BLM P54132 1/20 0.48
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45

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 0.81 APP (0.68) APPMMP9MMP8MMP2MMP13
SCHEMBL8532307 0.81 APP (0.67) APPMMP9MMP8MMP2MMP13
SCHEMBL9436073 0.81 APP (0.63) APPMMP9MMP8MMP2MMP13
SCHEMBL12687416 0.78 APP (0.63) APPMMP9MMP8MMP2MMP13
SCHEMBL2246561 0.78 APP (0.63) APPMMP9MMP8MMP2MMP13
SCHEMBL7104770 0.76 TP53 (0.67) APPMMP9MMP8MMP2MMP13
SCHEMBL2245276 0.76 APP (0.63) APPMMP9MMP8MMP2MMP13
SCHEMBL28035197 0.73 MAPT (0.59) APPMMP9MMP8MMP2MMP13
SCHEMBL18280700 0.73 APP (0.70) APPMMP9MMP8MMP2MMP13
SCHEMBL28822619 0.73 MAPT (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6034246-A ANTICANCER AGENT CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-03-07 US disclosed