SCHEMBL24439745

SCHEMBL24439745

COCc1cc(Cl)sc1-c1ccc(OC2CCCCC2)c(C)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.34
KMO O15229 3/20 0.33
PDE4A P27815 6/20 0.33
PDE4B Q07343 4/20 0.33
PDE4D Q08499 3/20 0.33
PDE4C Q08493 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SAE1 Q9UBE0 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PI4KB Q9UBF8 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
SCHEMBL24441148 0.89 CSNK2A1 (0.36) CSNK2A1KMOPDE4APDE4BPDE4D
SCHEMBL29672105 0.89 CSNK2A1 (0.36) CSNK2A1KMOPDE4APDE4BPDE4D
SCHEMBL29601920 0.88 CSNK2A1 (0.43) CSNK2A1KMOPDE4APDE4BPDE4D
SCHEMBL24440640 0.88 CSNK2A1 (0.43) CSNK2A1KMOPDE4APDE4BPDE4D
SCHEMBL29672295 0.88 KMO (0.36) CSNK2A1KMOPDE4APDE4BPDE4D
SCHEMBL24440656 0.88 CSNK2A1 (0.35) CSNK2A1KMOPDE4APDE4BPDE4D
SCHEMBL24439734 0.88 KMO (0.36) CSNK2A1KMOPDE4APDE4BPDE4D
SCHEMBL24441480 0.86 CSNK2A1 (0.36) CSNK2A1KMOPDE4APDE4BPDE4D
SCHEMBL24441045 0.84 RXRA (0.33) KMOPDE4A
SCHEMBL24439373 0.83 EPHX1 (0.42) KMOPDE4APDE4BPDE4DPDE4C

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-2022100624-A1 OXY-SUBSTITUTED AMINOCARBONATE THIOPHENE-BASED COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-05-19 WO disclosed