SCHEMBL30845604

SCHEMBL30845604

COc1ccc(CN(c2cscn2)S(=O)(=O)c2cc(C)ccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.42
CNR1 P21554 3/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
OXTR P30559 1/20 0.40
MAPK10 P53779 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP1 P03956 4/20 0.39
MMP9 P14780 4/20 0.39
MMP13 P45452 4/20 0.39
KDM4E B2RXH2 2/20 0.39
ACLY P53396 1/20 0.38
APLNR P35414 2/20 0.38
TSPO P30536 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL21773016 0.83 CNR2 (0.42) CNR2CNR1ALDH1A1LMNANPSR1
SCHEMBL21772969 0.83 CNR2 (0.42) CNR2CNR1ALDH1A1LMNANPSR1
SCHEMBL31018032 0.82 OXTR (0.41) CNR2CNR1ALDH1A1LMNANPSR1
SCHEMBL21789155 0.82 CNR2 (0.41) CNR2CNR1ALDH1A1LMNANPSR1
SCHEMBL28282357 0.81 ALDH1A1 (0.54) CNR2CNR1ALDH1A1LMNANPSR1
SCHEMBL21783458 0.81 CNR2 (0.39) CNR2CNR1ALDH1A1LMNANPSR1
SCHEMBL30845675 0.80 CNR2 (0.39) CNR2CNR1ALDH1A1LMNANPSR1
SCHEMBL21773245 0.80 CNR2 (0.39) CNR2CNR1ALDH1A1LMNANPSR1
SCHEMBL31018013 0.79 ALDH1A1 (0.40) CNR2CNR1ALDH1A1LMNANPSR1
SCHEMBL19631718 0.79 MMP9 (0.44) CNR2CNR1ALDH1A1LMNANPSR1

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