SCHEMBL11021108

SCHEMBL11021108

CSc1c(C(C)=O)c(C)[nH]c(=O)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 6/20 0.42
▸ ATM Q13315 2/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 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
▸ CYP2C19 P33261 2/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOR2 Q9Y618 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) GAAKDM4EATMALDH1A1POLB
SCHEMBL11018436 0.79 KDM4E (0.46) GAAKDM4EATMALDH1A1POLB
SCHEMBL11026225 0.78 KDM4E (0.45) GAAKDM4EATMALDH1A1POLB
SCHEMBL11023239 0.77 KDM4E (0.41) GAAKDM4EATMALDH1A1POLB
SCHEMBL11019918 0.75 KDM4E (0.42) GAAKDM4EATMALDH1A1POLB
SCHEMBL11019126 0.75 POLB (0.45) GAAKDM4EATMALDH1A1POLB
SCHEMBL11024172 0.75 KDM4E (0.42) GAAKDM4EATMALDH1A1POLB
SCHEMBL11024815 0.73 KDM4E (0.41) GAAKDM4EATMALDH1A1POLB
SCHEMBL5223628 0.67 CYP1A2 (0.48) GAAKDM4EALDH1A1POLBMAPT
SCHEMBL5279994 0.66 CYP1A2 (0.47) GAAKDM4EALDH1A1POLBMAPT

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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