SCHEMBL5794890

SCHEMBL5794890

Cc1nnc2cc(-c3ccc(CNCc4ccccc4)cc3)c3cc(Cl)ccc3n12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 1/20 0.53
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43
▸ BRD4 O60885 14/20 0.43
▸ PDE2A O00408 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RXFP1 Q9HBX9 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
SCHEMBL11834615 0.86 MAT2A (0.64) MAT2AFNTAFNTBBRD4RXFP1
SCHEMBL11825860 0.76 MAT2A (0.48) MAT2AFNTAFNTBBRD4PDE2A
SCHEMBL11825891 0.74 MAT2A (0.47) MAT2AFNTAFNTBBRD4PDE2A
SCHEMBL11822371 0.72 MAT2A (0.46) MAT2AFNTAFNTBBRD4
SCHEMBL11828073 0.71 FNTA (0.46) MAT2AFNTAFNTBBRD4PDE2A
SCHEMBL23743012 0.70 MAT2A (1.00) MAT2AFNTAFNTB
SCHEMBL30787877 0.68 MAT2A (0.62) MAT2AFNTAFNTBMAPTRXFP1
SCHEMBL1599263 0.65 HPGD (0.41) MAT2AFNTAFNTBBRD4
SCHEMBL11826249 0.65 HSD11B1 (0.47) MAT2AFNTAFNTBBRD4PDE2A
SCHEMBL11823985 0.64 SMN1; SMN2 (0.45) BRD4PDE2AMAPT

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-2006032470-A1 COMPOUNDS WHICH INCREASE APOLIPOPROTEIN A-1 PRODUCTION AND USES THEREOF IN MEDICINE SMITHKLINE BEECHAM CORPORATION (US) 2006-03-30 — — WO disclosed
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