SCHEMBL29686357

SCHEMBL29686357

CN(c1cc(C(F)(F)F)ccc1N)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
CFTR P13569 1/20 0.39
TYK2 P29597 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM5 P41594 1/20 0.36
PKM P14618 1/20 0.36
CYP19A1 P11511 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL20073799 1.00 KIF11 (0.43) KIF11KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24497517 0.82 PTGDR2 (0.44) KIF11KDM4EMAPTPTGDR2TYK2
SCHEMBL26512033 0.81 MAPT (0.41) KIF11KDM4EALDH1A1MAPTPTGDR2
SCHEMBL24498528 0.79 KDM4E (0.40) KIF11KDM4EALDH1A1MAPTPTGDR2
SCHEMBL10185017 0.79 ALDH1A1 (0.42) KIF11KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24497696 0.78 KDM4E (0.40) KIF11KDM4EMAPTPTGDR2TYK2
SCHEMBL24498403 0.78 PSEN1 (0.43) ALDH1A1KMT2ACYP19A1
SCHEMBL7636060 0.77 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL29686578 0.76 TDP1 (0.43) ALDH1A1HSD17B10TYK2KMT2ACYP19A1
SCHEMBL20073375 0.76 TDP1 (0.43) ALDH1A1HSD17B10TYK2KMT2ACYP19A1

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