SCHEMBL29020744

SCHEMBL29020744

CS(=O)(=O)OCCOC1CC1(F)F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL9113490 0.74 KDM4E (0.43) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL8250804 0.71 USP2 (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
Ethane Dimethane Sulfonate SCHEMBL1336145 0.71 USP2 (0.75) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL28557302 0.70 USP2 (0.30) USP2TSHR
SCHEMBL24471174 0.69 KDM4E (0.36) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL17247793 0.69 USP2 (0.46) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL29580518 0.69 KDM4E (0.36) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL347083 0.69 KDM4E (0.36) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL30352941 0.69 KDM4E (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
Ethane Dimethane Sulfonate SCHEMBL17022719 0.69 USP2 (0.63) KDM4EUSP2ALDH1A1LMNAMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115919859-B Pharmaceutical composition of heteroaryl derivative and application of pharmaceutical composition in medicine 四川海思科制药有限公司 2024-01-05 CN disclosed
CN-115919859-A Pharmaceutical composition of heteroaryl derivative and application thereof in medicine 四川海思科制药有限公司 2023-04-07 CN disclosed