SCHEMBL8570317

SCHEMBL8570317

COc1ccc(C(=O)Cl)c2[nH]c(CCCCc3ccccc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.52
PDE4A P27815 6/20 0.52
PDE4B Q07343 6/20 0.52
PDE4C Q08493 6/20 0.52
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
ALOX5 P09917 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8571347 0.93 PDE4D (0.59) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL8570416 0.91 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL8575066 0.87 PDE4A (0.58) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL8574171 0.86 PDE4A (0.45) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL1553391 0.84 PDE4A (0.58) PDE4DPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL8571356 0.83 PDE4A (0.57) PDE4DPDE4APDE4BPDE4C
SCHEMBL8570003 0.82 PDE4A (0.46) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL1553518 0.82 PDE4A (0.59) PDE4DPDE4APDE4BPDE4C
SCHEMBL7361900 0.82 PDE4D (0.77) PDE4DPDE4APDE4BPDE4C
SCHEMBL8570990 0.81 SMN1; SMN2 (0.43) PDE4DPDE4APDE4BPDE4CNPC1

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-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed