SCHEMBL905100

SCHEMBL905100

C=CC(=O)NC(C)(C)CCC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.30

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
SCHEMBL15133721 0.85 POLB (0.31)
SCHEMBL905099 0.85 ALDH1A1 (0.41) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL905092 0.79 TGFBR1 (0.32)
SCHEMBL9397158 0.76 MEN1 (0.49) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL14129244 0.75 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL27548933 0.74 MEN1 (0.48) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL905151 0.73 TSHR (0.31) ALDH1A1CYP3A4TSHR
SCHEMBL905081 0.73 ZDHHC20 (0.44) MEN1KMT2AALDH1A1TSHR
SCHEMBL15132327 0.72 ZDHHC20 (0.46) MEN1KMT2AALDH1A1TSHR
SCHEMBL7115211 0.71 MEN1 (0.48) MEN1KMT2AALDH1A1CYP3A4CYP2C9

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
EP-2622960-A1 ANTIBACTERIAL AGENT, SUBSTRATE SURFACE TREATMENT METHOD USING THE SAME, ANTIBACTERIAL AGENT COMPOSITION, AND SUBSTRATE SURFACE TREATMENT METHOD USING THE SAME Central Glass Company, Limited (JP) 2013-08-07 EP disclosed
WO-2012043619-A1 ANTIBACTERIAL AGENT, SUBSTRATE SURFACE TREATMENT METHOD USING THE SAME, ANTIBACTERIAL AGENT COMPOSITION, AND SUBSTRATE SURFACE TREATMENT METHOD USING THE SAME セントラル硝子株式会社 (JP) 2012-04-05 WO disclosed