SCHEMBL29686192

SCHEMBL29686192

COc1c(N)cc(F)cc1-c1cnccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
CHEK1 O14757 1/20 0.38
ALOX5AP P20292 5/20 0.38
FEN1 P39748 5/20 0.38
FYN P06241 4/20 0.36
AURKA O14965 1/20 0.34
TTK P33981 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
KLK3 P07288 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP6 P55212 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL26116987 1.00 HTT (0.38) HTTRECQLCHEK1ALOX5APFEN1
SCHEMBL26546110 0.82 CHEK1 (0.36) HTTRECQLCHEK1ALOX5APFEN1
SCHEMBL24498204 0.79 ALOX5AP (0.42) ALOX5APFEN1FYN
SCHEMBL29686853 0.79 ALOX5AP (0.42) ALOX5APFEN1FYN
SCHEMBL28838966 0.78 KLK3 (0.39) HTTCHEK1KLK3MAPK1MAPT
SCHEMBL30740055 0.76 FEN1 (0.45) ALOX5APFEN1
SCHEMBL27172758 0.76 FEN1 (0.45) ALOX5APFEN1
SCHEMBL24498024 0.76 FEN1 (0.42) ALOX5APFEN1FYN
SCHEMBL29686449 0.76 FEN1 (0.42) ALOX5APFEN1FYN
SCHEMBL24498473 0.76 TYK2 (0.41) HTTRECQLCHEK1ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283954-A Hydroxamate compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-06-23 CN disclosed
CN-114901656-B Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-04-07 CN disclosed
CN-114901656-A Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-08-12 CN disclosed
WO-2022117016-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-06-09 WO disclosed