SCHEMBL11019126

SCHEMBL11019126

COc1c(C(C)=O)c(C)[nH]c(=O)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.45
▸ KDM4E B2RXH2 7/20 0.42
▸ ATM Q13315 2/20 0.42
▸ ALDH1A1 P00352 7/20 0.42
▸ HPGD P15428 3/20 0.42
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ GLA P06280 1/20 0.38
▸ CYP1A2 P05177 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ UPP1 Q16831 2/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL11023567 0.84 POLB (0.45) POLBKDM4EATMALDH1A1HPGD
SCHEMBL11018144 0.82 KDM4E (0.45) POLBKDM4EATMALDH1A1HPGD
SCHEMBL11023088 0.82 POLB (0.44) POLBKDM4EATMALDH1A1HPGD
SCHEMBL10815675 0.80 KDM4E (0.56) POLBKDM4EATMALDH1A1HPGD
SCHEMBL11018436 0.79 KDM4E (0.46) POLBKDM4EATMALDH1A1HPGD
SCHEMBL11020238 0.78 POLB (0.49) POLBKDM4EATMALDH1A1HPGD
SCHEMBL11026225 0.78 KDM4E (0.45) POLBKDM4EATMALDH1A1HPGD
SCHEMBL11021108 0.75 GAA (0.43) POLBKDM4EATMALDH1A1HPGD
SCHEMBL11019918 0.75 KDM4E (0.42) POLBKDM4EATMALDH1A1HPGD
SCHEMBL11024172 0.75 KDM4E (0.42) POLBKDM4EATMALDH1A1HPGD

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
Send feedback