SCHEMBL9536649

SCHEMBL9536649

O=c1[nH]ccc2c1COC2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.32
MCL1 Q07820 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
DAO P14920 1/20 0.30
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30
INCENP Q9NQS7 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
SCHEMBL4723110 0.72 PARP1 (0.47) PARP1
SCHEMBL13259202 0.69 KDM4E (0.41)
SCHEMBL20523017 0.69
SCHEMBL917625 0.68 PARP1 (0.43) PARP1
SCHEMBL29973298 0.68 PARP1 (0.33) PARP1MCL1DAOAURKAAURKB
SCHEMBL24112888 0.68 ADRA1A (0.34) PARP1JAK2AURKAAURKBINCENP
SCHEMBL30559735 0.68 TNF (0.36)
SCHEMBL2732443 0.67 PARP1 (0.32) PARP1MCL1DAOAURKAAURKB
SCHEMBL25365116 0.67 PARP1 (0.42) PARP1
SCHEMBL31208007 0.67 PARP1 (0.42) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025119351-A1 GPR139 AGONIST 深圳湾实验室 2025-06-12 WO disclosed
WO-2025064535-A1 TRICYCLIC SUBSTITUTED AMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE DEEP APPLE THERAPEUTICS, INC. (US) 2025-03-27 WO disclosed
EP-0558521-A1 ISONICOTINIC ACID DERIVATIVES AND RELATED SPIRO COMPOUNDS WITH HERBICIDAL ACTION JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-08 EP disclosed