SCHEMBL20350855

SCHEMBL20350855

CC(C)Sc1[nH]c(=O)cc(C(F)(F)F)c1C#N

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 13/20 0.59
▸ ALDH1A1 P00352 14/20 0.50
▸ MAPT P10636 3/20 0.50
▸ GAA P10253 12/20 0.49
▸ GLA P06280 12/20 0.49
▸ HPGD P15428 9/20 0.49
▸ TP53 P04637 1/20 0.49
▸ AR P10275 2/20 0.43
▸ ATM Q13315 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KMT2A Q03164 4/20 0.40
▸ HTT P42858 3/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ TSHR P16473 1/20 0.37

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
SCHEMBL20340182 0.87 KDM4E (0.64) KDM4EALDH1A1MAPTGAAGLA
SCHEMBL20350815 0.82 KDM4E (0.68) KDM4EALDH1A1MAPTGAAGLA
SCHEMBL20340016 0.81 KDM4E (0.64) KDM4EALDH1A1MAPTGAAGLA
SCHEMBL20340052 0.78 KDM4E (0.57) KDM4EALDH1A1MAPTGAAGLA
SCHEMBL20339496 0.77 KDM4E (0.70) KDM4EALDH1A1MAPTGAAGLA
SCHEMBL20340123 0.75 KDM4E (0.67) KDM4EALDH1A1MAPTGAAGLA
SCHEMBL20339508 0.74 KDM4E (1.00) KDM4EALDH1A1MAPTGAAGLA
SCHEMBL20339938 0.73 KDM4E (0.74) KDM4EALDH1A1MAPTGAAGLA
SCHEMBL26847329 0.73 KDM4E (0.74) KDM4EALDH1A1MAPTGAAGLA
SCHEMBL24088111 0.72 KDM4E (0.53) KDM4EALDH1A1MAPTGAAGLA

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
WO-2018125983-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS MITOBRIDGE, INC. (US) 2018-07-05 — — WO disclosed
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