SCHEMBL30133886

SCHEMBL30133886

CC(C)(C#N)c1ccc(Br)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.34
KDM1A O60341 2/20 0.33
KCNH2 Q12809 2/20 0.33
KDM1B Q8NB78 1/20 0.33
CSNK1D P48730 1/20 0.32
CSNK1G2 P78368 1/20 0.32
ALDH1A1 P00352 1/20 0.31
JAK2 O60674 1/20 0.30
ROCK2 O75116 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCD Q05655 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL17157434 1.00 SCN10A (0.34) SCN10AKDM1AKCNH2KDM1BCSNK1D
SCHEMBL604751 0.85 SCN10A (0.34) SCN10AALDH1A1JAK2ROCK2PRKCQ
SCHEMBL1626865 0.82 SCN10A (0.36) SCN10ACSNK1DCSNK1G2ALDH1A1JAK2
SCHEMBL195478 0.81 CHRNA1 (0.38) SCN10AALDH1A1JAK2ROCK2PRKCQ
SCHEMBL17157517 0.79 CASP1 (0.36) KDM1AKCNH2KDM1B
SCHEMBL31292221 0.79 CYP19A1 (0.35) KDM1AKDM1B
SCHEMBL4153765 0.78 ALOX15 (0.46) KDM1AKCNH2KDM1BALDH1A1
SCHEMBL1104683 0.78 ALDH1A1 (0.41) KDM1AKCNH2KDM1BALDH1A1
SCHEMBL17157388 0.78 AR (0.35) SCN10ACSNK1DCSNK1G2JAK2ROCK2
SCHEMBL12987933 0.78 AR (0.40) SCN10AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743453-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION Pretzel Therapeutics, Inc. (US) 2026-05-20 EP disclosed
WO-2025015178-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION PRETZEL THERAPEUTICS, INC. (US) 2025-01-16 WO disclosed
CN-119119033-A Pyrazolopyridone compounds 百济神州有限公司 2024-12-13 CN disclosed
EP-4380936-A1 PYRAZOLOPYRIDINONE COMPOUNDS BeiGene, Ltd. (KY) 2024-06-12 EP disclosed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN disclosed
CN-117069724-A Fused ring compounds, pharmaceutical compositions and uses 上海赛默罗德生物科技有限公司 2023-11-17 CN disclosed
WO-2023011456-A1 PYRAZOLOPYRIDINONE COMPOUNDS BEIGENE, LTD. (KY) 2023-02-09 WO disclosed