SCHEMBL31362212

SCHEMBL31362212

CC(C)(C)OC(=O)n1c(=O)n(Cc2ccc(CS(C)(=O)=O)s2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
GAA P10253 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
GLA P06280 1/20 0.39
NR1H2 P55055 4/20 0.35
ATM Q13315 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL25237699 0.87 MEN1 (0.40) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL31362216 0.84 MEN1 (0.56) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL28357637 0.75 MEN1 (0.51) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL23997330 0.74 KMT2A (0.53) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL30336785 0.74 KMT2A (0.53) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL25276282 0.73 APEX1 (0.59) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL23997395 0.73 MEN1 (0.59) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL30336707 0.73 MEN1 (0.59) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL25231912 0.72 MEN1 (0.41) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL21385314 0.71 CNR1 (0.46) MEN1KMT2AGAACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115836054-B IL4I1 inhibitors and methods of use 默沙东有限责任公司 2024-12-10 CN disclosed