SCHEMBL7947531

SCHEMBL7947531

CNc1ccc(-c2ccc3c(=O)[nH]cc(C)c3c2)c2cc(C(F)(F)F)nn12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.39
PRMT5 O14744 6/20 0.37
WDR77 Q9BQA1 6/20 0.37
PDE3A Q14432 4/20 0.37
RAD51 Q06609 1/20 0.32
ROCK1 Q13464 1/20 0.31
ALPL P05186 1/20 0.30
ALPI P09923 1/20 0.30
NTRK1 P04629 1/20 0.30

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
SCHEMBL2170670 0.89 PDE4B (0.45) PDE4BPRMT5WDR77PDE3AROCK1
SCHEMBL7946540 0.82 PRMT5 (0.38) PRMT5WDR77
SCHEMBL2170742 0.75 PRMT5 (0.36) PDE4BPRMT5WDR77PDE3A
SCHEMBL2172480 0.74 PDE4B (0.51) PDE4BPDE3A
SCHEMBL2173257 0.73 PDE4B (0.40) PDE4BPDE3A
SCHEMBL2171767 0.73 PARP10 (0.48) PDE4BPDE3A
SCHEMBL2217843 0.72 PRMT5 (0.37) PDE4BPRMT5WDR77
SCHEMBL2459931 0.70 PDE4B (0.44) PDE4BPDE3A
SCHEMBL2171869 0.68 PDE4B (0.52) PDE4BPDE3A
SCHEMBL2172562 0.68 PDE4B (0.52) PDE4BPDE3A

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-2010035745-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2010-04-01 WO disclosed