SCHEMBL11017699

SCHEMBL11017699

CCc1[nH]c(=O)c(C#N)c(C(C)=O)c1Br

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.47
▸ HPGD P15428 14/20 0.47
▸ KDM4E B2RXH2 12/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ATM Q13315 2/20 0.41
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HSD17B10 Q99714 4/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP1A2 P05177 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HIF1A Q16665 1/20 0.35
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ UPP1 Q16831 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
SCHEMBL19717098 0.78 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL3282041 0.70 LMNA (0.43) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL19717347 0.68 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL10815675 0.66 KDM4E (0.56) ALDH1A1HPGDKDM4ESMN1; SMN2ATM
SCHEMBL11018436 0.65 KDM4E (0.46) ALDH1A1HPGDKDM4EKMT2AATM
SCHEMBL10811815 0.65 PDE3B (0.51) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL11024172 0.65 KDM4E (0.42) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL13075980 0.64 ATM (0.68) ALDH1A1HPGDKDM4EATMGAA
SCHEMBL11023239 0.64 KDM4E (0.41) ALDH1A1HPGDKDM4EATMGAA
SCHEMBL11026225 0.64 KDM4E (0.45) ALDH1A1HPGDKDM4EATMGAA

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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