SCHEMBL20351062

SCHEMBL20351062

CCSc1[nH]c(=O)cc(C(C)(C)C)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.53
▸ ALDH1A1 P00352 11/20 0.48
▸ TSHR P16473 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ HPGD P15428 6/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ GAA P10253 4/20 0.38
▸ GLA P06280 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ UPP1 Q16831 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL20339935 0.83 KDM4E (0.77) KDM4EALDH1A1TSHRMAPTHPGD
SCHEMBL20350859 0.80 ALDH1A1 (0.51) KDM4EALDH1A1TSHRMAPTHPGD
SCHEMBL20351058 0.77 ALDH1A1 (0.48) KDM4EALDH1A1TSHRMAPTHPGD
SCHEMBL20350858 0.75 ALDH1A1 (0.47) KDM4EALDH1A1TSHRMAPTHPGD
SCHEMBL20339594 0.73 KDM4E (0.62) KDM4EALDH1A1TSHRMAPTHPGD
SCHEMBL20339496 0.72 KDM4E (0.70) KDM4EALDH1A1TSHRMAPTHPGD
SCHEMBL20339508 0.70 KDM4E (1.00) KDM4EALDH1A1TSHRMAPTHPGD
SCHEMBL26847329 0.69 KDM4E (0.74) KDM4EALDH1A1TSHRMAPTHPGD
SCHEMBL20339938 0.69 KDM4E (0.74) KDM4EALDH1A1TSHRMAPTHPGD
SCHEMBL26847326 0.68 KDM4E (0.59) KDM4EALDH1A1TSHRMAPTHPGD

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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