SCHEMBL7945841

SCHEMBL7945841

CNc1ccc(-c2ccc3c(=O)[nH]cc(Cl)c3c2)n2c(C)c(C(F)(F)F)nc12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.34
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
PRMT5 O14744 3/20 0.32
WDR77 Q9BQA1 3/20 0.32

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
SCHEMBL2215183 0.92 MAT2A (0.34) MAT2APTGS2PTGS1PRMT5WDR77
SCHEMBL2216150 0.80 MAT2A (0.40) MAT2APTGS2PTGS1PRMT5WDR77
SCHEMBL2217605 0.77 LRRK2 (0.34) PTGS2PTGS1
SCHEMBL2170974 0.69 F11 (0.36) PTGS2PTGS1
SCHEMBL2171011 0.67 PRMT5 (0.35) MAT2APTGS2PTGS1PRMT5WDR77
SCHEMBL2217843 0.67 PRMT5 (0.37) PRMT5WDR77
SCHEMBL2171754 0.67 PARP10 (0.44)
SCHEMBL7948833 0.66 PRMT5 (0.36) PRMT5WDR77
SCHEMBL2231278 0.66 ALOX15 (0.36) PTGS2PTGS1
SCHEMBL2170670 0.65 PDE4B (0.45) MAT2APTGS2PTGS1PRMT5WDR77

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