SCHEMBL8889796

SCHEMBL8889796

COC(=O)c1ccc(OC)c(CCc2nc(-c3ccc(Cl)cc3)no2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.59
SIRT2 Q8IXJ6 1/20 0.55
MAPT P10636 10/20 0.55
TP53 P04637 1/20 0.55
LMNA P02545 8/20 0.54
TSHR P16473 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
GLA P06280 1/20 0.52
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PKM P14618 1/20 0.50
TDP1 Q9NUW8 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
SCHEMBL8900255 0.90 THRB (0.58) THRBSIRT2MAPTTP53LMNA
SCHEMBL8901320 0.84 PDE4D (0.56) THRBSIRT2MAPTTP53LMNA
SCHEMBL8900709 0.80 MAPT (0.63) THRBMAPTTP53LMNATSHR
SCHEMBL28816276 0.75 SMPD1 (0.55) THRBSIRT2MAPTTP53LMNA
SCHEMBL8899857 0.74 MAPT (0.58) THRBMAPTTP53LMNATSHR
SCHEMBL8892213 0.74 MAPT (0.58) THRBMAPTTP53LMNATSHR
SCHEMBL8901439 0.74 THRB (0.54) THRBMAPTTP53LMNATSHR
SCHEMBL12171483 0.74 MAPT (0.67) MAPTTP53LMNASMN1; SMN2MEN1
SCHEMBL25248790 0.73 POLB (0.53) THRBMAPTLMNATSHRSMN1; SMN2
SCHEMBL30506577 0.73 POLB (0.53) THRBMAPTLMNATSHRSMN1; 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