SCHEMBL8900709

SCHEMBL8900709

COC(=O)c1ccc(OC)c(-c2nc(-c3ccc(Cl)cc3)no2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
HSD17B10 Q99714 3/20 0.63
ALOX15 P16050 1/20 0.63
CASP1 P29466 1/20 0.63
CASP7 P55210 1/20 0.63
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
HPGD P15428 3/20 0.62
RAB9A P51151 7/20 0.59
ALDH1A1 P00352 3/20 0.59
BLM P54132 1/20 0.59
NPC1 O15118 7/20 0.52
TSHR P16473 5/20 0.51
TP53 P04637 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 2/20 0.51
BAP1 Q92560 1/20 0.51
THRB P10828 2/20 0.50
STAT3 P40763 1/20 0.50

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
SCHEMBL8899510 0.89 SMN1; SMN2 (0.63) MAPTHSD17B10ALOX15CASP1CASP7
SCHEMBL8889557 0.89 MAPT (0.65) MAPTHSD17B10ALOX15CASP1CASP7
SCHEMBL8901131 0.88 MAPT (0.62) MAPTHSD17B10ALOX15CASP1CASP7
SCHEMBL5208862 0.84 MAPT (0.51) MAPTHSD17B10ALOX15CASP1CASP7
SCHEMBL12171483 0.82 MAPT (0.67) MAPTHSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL8898765 0.82 ALOX15 (0.65) MAPTHSD17B10ALOX15CASP1CASP7
SCHEMBL5206342 0.80 RAB9A (0.64) MAPTHSD17B10ALOX15CASP1CASP7
SCHEMBL8889796 0.80 THRB (0.59) MAPTMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL8901510 0.79 TPH1 (0.58) MAPTHSD17B10ALOX15CASP1CASP7
SCHEMBL8898716 0.78 NPC1 (0.60) MAPTHSD17B10MEN1KMT2ASMN1; SMN2

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-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed