SCHEMBL29686281

SCHEMBL29686281

CN(c1cc(C2CC2)ccc1N)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.42
CYP19A1 P11511 5/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ALK Q9UM73 5/20 0.34
NPM1 P06748 3/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33
INSR P06213 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20093009 1.00 TYK2 (0.42) TYK2CYP19A1HDAC3HDAC1HDAC2
SCHEMBL20073548 0.94 CYP19A1 (0.39) TYK2CYP19A1HDAC3HDAC1HDAC2
SCHEMBL20150204 0.93 CYP19A1 (0.43) TYK2CYP19A1HDAC1HDAC2KMT2A
SCHEMBL20150174 0.90 TYK2 (0.46) TYK2CYP19A1ALK
SCHEMBL24498494 0.85 HDAC1 (0.35) TYK2HDAC3HDAC1HDAC2
SCHEMBL24498549 0.85 CYP2C9 (0.35) TYK2HDAC3HDAC1HDAC2KMT2A
SCHEMBL29686947 0.85 HDAC1 (0.35) TYK2HDAC3HDAC1HDAC2
SCHEMBL20073547 0.83 TYK2 (0.48) TYK2CYP19A1
SCHEMBL24497510 0.83 TYK2 (0.43) TYK2CYP19A1ALKJAK2JAK3
SCHEMBL24498229 0.81 TYK2 (0.40) TYK2CYP19A1ALKNPM1JAK2

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