SCHEMBL11024172

SCHEMBL11024172

CC(=O)c1c(C=O)c(C)[nH]c(=O)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.42
▸ ATM Q13315 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ UPP1 Q16831 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP2C19 P33261 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL10815675 0.80 KDM4E (0.56) KDM4EATMPOLBALDH1A1SMN1; SMN2
SCHEMBL11018436 0.79 KDM4E (0.46) KDM4EATMPOLBALDH1A1MAPT
SCHEMBL11019918 0.78 KDM4E (0.42) KDM4EATMPOLBALDH1A1MAPT
SCHEMBL11026225 0.78 KDM4E (0.45) KDM4EATMPOLBALDH1A1MAPT
SCHEMBL11021108 0.75 GAA (0.43) KDM4EATMPOLBALDH1A1MAPT
SCHEMBL11019126 0.75 POLB (0.45) KDM4EATMPOLBALDH1A1MAPT
SCHEMBL11023239 0.74 KDM4E (0.41) KDM4EATMPOLBALDH1A1MAPT
SCHEMBL11024815 0.73 KDM4E (0.41) KDM4EATMPOLBALDH1A1MAPT
SCHEMBL5223628 0.67 CYP1A2 (0.48) KDM4EPOLBALDH1A1SMN1; SMN2MAPT
SCHEMBL5279994 0.66 CYP1A2 (0.47) KDM4EPOLBALDH1A1SMN1; SMN2MAPT

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
EP-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 — — EP disclosed
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