SCHEMBL11026225

SCHEMBL11026225

CC(=O)c1c(C)[nH]c(=O)c(C#N)c1N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.45
▸ ATM Q13315 2/20 0.45
▸ ALDH1A1 P00352 5/20 0.42
▸ GAA P10253 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ UPP1 Q16831 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 3/20 0.36
▸ GLA P06280 1/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ESR1 P03372 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
SCHEMBL11018436 0.85 KDM4E (0.46) KDM4EATMALDH1A1GAAPOLB
SCHEMBL10815675 0.83 KDM4E (0.56) KDM4EATMALDH1A1GAAPOLB
SCHEMBL11021108 0.78 GAA (0.43) KDM4EATMALDH1A1GAAPOLB
SCHEMBL11019918 0.78 KDM4E (0.42) KDM4EATMALDH1A1GAAPOLB
SCHEMBL11024172 0.78 KDM4E (0.42) KDM4EATMALDH1A1GAAPOLB
SCHEMBL11019126 0.78 POLB (0.45) KDM4EATMALDH1A1GAAPOLB
SCHEMBL10444662 0.77 HSD17B10 (0.42) KDM4EALDH1A1GAAPOLBMAPT
SCHEMBL11023239 0.76 KDM4E (0.41) KDM4EATMALDH1A1GAAPOLB
SCHEMBL11024815 0.75 KDM4E (0.41) KDM4EATMALDH1A1GAAPOLB
SCHEMBL16398184 0.73 KDM4E (0.61) KDM4EATMALDH1A1GAAUPP1

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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