SCHEMBL31490801

SCHEMBL31490801

CCOC(=O)c1sc2cnccc2c1N(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 10/20 0.50
DBF4 Q9UBU7 10/20 0.50
RPS6KB1 P23443 1/20 0.49
CDK2 P24941 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
GSK3B P49841 1/20 0.49
RPS6KA3 P51812 1/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
NCOA1 Q15788 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RCE1 Q9Y256 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
KDM5A P29375 1/20 0.42

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
SCHEMBL21874460 1.00 CDC7 (0.50) CDC7DBF4RPS6KB1CDK2MAPKAPK2
SCHEMBL717339 0.84 ALDH1A1 (0.53) CDC7DBF4RPS6KB1CDK2MAPKAPK2
SCHEMBL30555073 0.83 KDM4E (0.52) CDC7DBF4RPS6KB1CDK2MAPKAPK2
SCHEMBL1218547 0.83 KDM4E (0.52) CDC7DBF4RPS6KB1CDK2MAPKAPK2
SCHEMBL14572028 0.83 RPS6KB1 (0.44) CDC7DBF4RPS6KB1CDK2MAPKAPK2
SCHEMBL4723975 0.82 KDM4E (0.73) CDC7DBF4RPS6KB1CDK2MAPKAPK2
SCHEMBL17148975 0.82 ALDH1A1 (0.51) CDC7DBF4RPS6KB1CDK2MAPKAPK2
SCHEMBL30338198 0.82 ALDH1A1 (0.51) CDC7DBF4RPS6KB1CDK2MAPKAPK2
SCHEMBL31490861 0.81 ALDH1A1 (0.53) CDC7DBF4RPS6KB1CDK2MAPKAPK2
SCHEMBL21874477 0.81 ALDH1A1 (0.53) CDC7DBF4RPS6KB1CDK2MAPKAPK2

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
CN-119409690-A Novel insect repellent compound 拜耳动物保健有限责任公司 2025-02-11 CN disclosed