SCHEMBL23464591

SCHEMBL23464591

COC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 3/20 0.58
ALDH1A1 P00352 7/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CSNK2A1 P68400 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
RPS6KA3 P51812 1/20 0.48
JAK3 P52333 1/20 0.48
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
MEN1 O00255 1/20 0.46
PTGS2 P35354 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL10413551 0.87 KDM4E (0.59) ALDH1A1MAPTKDM4EKMT2AL3MBTL1
SCHEMBL10413552 0.87 KDM4E (0.59) ALDH1A1MAPTKDM4EKMT2AL3MBTL1
SCHEMBL18060265 0.85 ALDH1A1 (0.66) ESRRAALDH1A1MAPTKDM4EKMT2A
SCHEMBL5660012 0.85 ALDH1A1 (0.66) ESRRAALDH1A1MAPTKDM4EKMT2A
SCHEMBL5660016 0.85 ALDH1A1 (0.66) ESRRAALDH1A1MAPTKDM4EKMT2A
SCHEMBL21457723 0.83 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EKMT2AL3MBTL1
SCHEMBL21457720 0.83 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EKMT2AL3MBTL1
SCHEMBL20603148 0.81 EGFR (0.65) ESRRAALDH1A1KDM4EHPGDRPS6KA3
SCHEMBL782201 0.81 ALDH1A1 (0.65) ALDH1A1MAPTKDM4EKMT2AL3MBTL1
SCHEMBL782202 0.81 ALDH1A1 (0.65) ALDH1A1MAPTKDM4EKMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025133334-A1 NOVEL VDAC1 INHIBITORS ABARCEO PHARMA AB (SE) 2025-06-26 WO disclosed
WO-2021104391-A1 OLEANANE CINNAMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 鲁南制药集团股份有限公司 2021-06-03 WO disclosed