SCHEMBL20350879

SCHEMBL20350879

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.38
▸ MAPT P10636 2/20 0.38
▸ BRD4 O60885 6/20 0.36
▸ KDM4E B2RXH2 7/20 0.36
▸ GLA P06280 6/20 0.36
▸ GAA P10253 5/20 0.36
▸ HPGD P15428 5/20 0.36
▸ TP53 P04637 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL20340162 0.85 KDM4E (0.54) ALDH1A1MAPTBRD4KDM4EGLA
SCHEMBL20350899 0.82 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL20340131 0.72 CYP1A2 (0.49) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL20340026 0.70 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL20340100 0.70 CYP1A2 (0.47) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL20339499 0.69 CYP1A2 (0.47) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL20340161 0.69 CYP1A2 (0.47) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL20339960 0.69 KDM4E (0.38) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL20340035 0.68 KDM4E (0.61) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL20340117 0.68 KDM4E (0.57) ALDH1A1MAPTKDM4EGLAGAA

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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