SCHEMBL7174683

SCHEMBL7174683

Cc1ccc([N+](=O)[O-])c(-c2nc3ccccc3c(=O)o2)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C1R P00736 9/20 0.73
KMT2A Q03164 5/20 0.73
MEN1 O00255 4/20 0.73
MAPT P10636 2/20 0.73
F2 P00734 2/20 0.73
KLK3 P07288 1/20 0.69
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
ELANE P08246 3/20 0.55
PLG P00747 1/20 0.50
KLK1 P06870 1/20 0.50
PRSS1 P07477 1/20 0.50
C1S P09871 1/20 0.50
ATM Q13315 1/20 0.50
MAOB P27338 1/20 0.49

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
SCHEMBL10924688 0.84 C1R (1.00) C1RKMT2AMEN1MAPTF2
SCHEMBL17059024 0.82 RAB9A (0.65) C1RKMT2AMEN1MAPTF2
SCHEMBL912869 0.81 MEN1 (0.60) C1RKMT2AMEN1MAPTF2
SCHEMBL915069 0.81 KLK3 (0.73) C1RKMT2AMEN1MAPTF2
SCHEMBL914003 0.81 KMT2A (1.00) C1RKMT2AMEN1MAPTF2
SCHEMBL29370698 0.79 KMT2A (0.74) C1RKMT2AMEN1MAPTF2
SCHEMBL692758 0.79 KMT2A (0.74) C1RKMT2AMEN1MAPTF2
SCHEMBL914109 0.79 C1R (0.74) C1RKMT2AMEN1MAPTF2
SCHEMBL914314 0.78 KMT2A (0.82) C1RKMT2AMEN1MAPTF2
SCHEMBL913435 0.78 C1R (0.73) C1RKMT2AMEN1MAPTF2

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
WO-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 WO claimed