SCHEMBL8900612

SCHEMBL8900612

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1-c1nc(-c2ccccc2)no1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.60
HSD17B10 Q99714 4/20 0.57
ALOX15 P16050 1/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
MAPT P10636 6/20 0.55
PDE4A P27815 3/20 0.52
PDE4B Q07343 3/20 0.52
PDE4C Q08493 3/20 0.52
ALDH1A1 P00352 7/20 0.51
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
RAB9A P51151 3/20 0.51
HPGD P15428 2/20 0.51
BLM P54132 1/20 0.51
CYP2B6 P20813 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
SMPD1 P17405 1/20 0.49
NPC1 O15118 2/20 0.49
TP53 P04637 2/20 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
SCHEMBL8898765 0.92 ALOX15 (0.65) PDE4DHSD17B10ALOX15CASP1CASP7
SCHEMBL8890415 0.87 PDE4D (0.56) PDE4DHSD17B10ALOX15CASP1CASP7
SCHEMBL8901131 0.80 MAPT (0.62) HSD17B10ALOX15CASP1CASP7MAPT
SCHEMBL8889395 0.80 PDE4D (0.65) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL8898716 0.80 NPC1 (0.60) HSD17B10MAPTALDH1A1KMT2AMEN1
SCHEMBL8890076 0.79 PDE4D (0.66) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL8889523 0.78 PDE4D (0.61) PDE4DHSD17B10MAPTPDE4APDE4B
SCHEMBL8890532 0.77 PDE4D (0.70) PDE4DMAPTPDE4APDE4BPDE4C
SCHEMBL8889534 0.77 PDE4D (0.60) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8890618 0.77 PDE4D (0.66) PDE4DHSD17B10MAPTPDE4APDE4B

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