SCHEMBL8890634

SCHEMBL8890634

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCc1nc(-c2ccc(Cl)cc2)no1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.60
PDE4A P27815 2/20 0.59
PDE4B Q07343 2/20 0.59
PDE4C Q08493 2/20 0.59
CYP2B6 P20813 1/20 0.58
SMPD1 P17405 4/20 0.56
MAPT P10636 4/20 0.56
TP53 P04637 2/20 0.56
THRB P10828 2/20 0.53
GSTP1 P09211 2/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
CASP3 P42574 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 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
SCHEMBL8889628 0.94 PDE4D (0.61) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8890864 0.90 THRB (0.51) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8900252 0.87 PDE4D (0.65) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8901320 0.87 PDE4D (0.56) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8890668 0.85 PDE4D (0.57) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8900644 0.85 PDE4D (0.56) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8899650 0.84 PDE4D (0.60) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8892213 0.83 MAPT (0.58) SMPD1MAPTTP53THRBGSTP1
SCHEMBL8899857 0.83 MAPT (0.58) SMPD1MAPTTP53THRBGSTP1
SCHEMBL8898765 0.83 ALOX15 (0.65) PDE4DPDE4APDE4BPDE4CCYP2B6

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