SCHEMBL7174591

SCHEMBL7174591

COc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nc3cccc(C)c3c(=O)o2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.59
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
C1R P00736 2/20 0.46
LMNA P02545 1/20 0.44
CASP3 P42574 1/20 0.44
XDH P47989 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EIF4A1 P60842 1/20 0.40

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
SCHEMBL914284 0.90 ELANE (0.55) ELANENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL913630 0.82 KLK7 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL10489779 0.76 ELANE (0.59) ELANERAB9AALDH1A1MAPTLMNA
SCHEMBL19971998 0.75 MMP2 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL19972001 0.72 MMP2 (0.54) ELANENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL914656 0.71 ELANE (0.76) ELANEC1RMEN1KMT2A
SCHEMBL4231911 0.70 ALDH1A1 (0.54) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL8006834 0.69 C1R (0.81) ELANEC1R
SCHEMBL14262960 0.69 ELANE (0.63) ELANEC1R
SCHEMBL5834840 0.68 RAB9A (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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