SCHEMBL5823494

SCHEMBL5823494

CC(C)(C)NC(=O)c1cccc2[nH]cnc12

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.50
▸ PRMT5 O14744 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL1290334 0.87 PARP1 (0.60) PARP1RXFP1PRMT5
SCHEMBL29698487 0.83 PARP1 (0.64) PARP1RXFP1PRMT5
SCHEMBL5480367 0.81 PARP1 (0.66) PARP1RXFP1PRMT5
SCHEMBL1477698 0.80 PARP1 (0.69) PARP1RXFP1PRMT5
SCHEMBL24754417 0.79 PARP1 (0.59) PARP1RXFP1PRMT5
SCHEMBL26177802 0.79 PARP1 (0.59) PARP1RXFP1PRMT5
SCHEMBL112629 0.78 PARP1 (0.70) PARP1RXFP1
SCHEMBL536589 0.77 PARP1 (0.64) PARP1
SCHEMBL5823499 0.77 MAPT (0.44) MEN1KMT2AMAPT
SCHEMBL2127143 0.76 PARP1 (0.55) PARP1RXFP1PRMT5

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-2006130673-A1 3-BENZOIMIDAZOLYL-PYRAZOLOPYRIDINES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-07 — — WO claimed
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