SCHEMBL30845658

SCHEMBL30845658

COc1ccc(CN(c2cscn2)S(=O)(=O)c2cc(C)c(NC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.38
PIK3CA P42336 3/20 0.35
PRKDC P78527 3/20 0.35
MTOR P42345 2/20 0.35
SUV39H2 Q9H5I1 1/20 0.34
CETP P11597 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SLC2A1 P11166 1/20 0.33
ACLY P53396 1/20 0.33

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
SCHEMBL21789254 1.00 GPR119 (0.38) GPR119PIK3CAPRKDCMTORSUV39H2
SCHEMBL30845712 1.00 GPR119 (0.38) GPR119PIK3CAPRKDCMTORSUV39H2
SCHEMBL21773285 0.91 MMP9 (0.36) ALDH1A1
SCHEMBL21773278 0.91 MMP9 (0.36) ALDH1A1
SCHEMBL21773280 0.91 MMP9 (0.36) ALDH1A1
SCHEMBL28556812 0.88 ALDH1A1 (0.42) GPR119PIK3CAPRKDCMTORALDH1A1
SCHEMBL30845610 0.88 ALDH1A1 (0.42) GPR119PIK3CAPRKDCMTORALDH1A1
SCHEMBL21789465 0.88 ALDH1A1 (0.42) GPR119PIK3CAPRKDCMTORALDH1A1
SCHEMBL21789154 0.87 SCN8A (0.40) GPR119CETPSLC2A1ACLY
SCHEMBL30845699 0.87 SCN8A (0.40) GPR119CETPSLC2A1ACLY

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-112638898-B Heteroaryl substituted sulfonamide compounds and their use as sodium channel inhibitors 泽农医药公司 2024-04-09 CN disclosed