SCHEMBL28983152

SCHEMBL28983152

Cc1nc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(S(C)(=O)=O)cc4)CC3)ccc2s1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 10/20 0.72
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
ALOX15 P16050 1/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
MAPT P10636 1/20 0.56
FAAH O00519 1/20 0.53
EPHX2 P34913 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL28983104 0.93 CHRM5 (0.73) CHRM5ALDH1A1LMNAALOX15MAPK1
SCHEMBL28983119 0.92 CHRM5 (0.69) CHRM5ALDH1A1LMNAALOX15MAPK1
SCHEMBL28983188 0.92 CHRM5 (0.71) CHRM5ALDH1A1LMNAALOX15MAPK1
SCHEMBL28983186 0.92 CHRM5 (0.71) CHRM5ALDH1A1LMNAALOX15MAPK1
SCHEMBL28983184 0.90 CHRM5 (0.69) CHRM5ALDH1A1LMNAALOX15MAPK1
SCHEMBL28983165 0.90 CHRM5 (0.71) CHRM5ALDH1A1LMNAALOX15MAPK1
SCHEMBL28983167 0.87 CHRM5 (0.62) CHRM5ALDH1A1LMNAALOX15MAPK1
SCHEMBL26347488 0.84 CHRM5 (1.00) CHRM5ALDH1A1LMNAALOX15MAPK1
SCHEMBL28983123 0.83 ALDH1A1 (0.86) CHRM5ALDH1A1LMNAALOX15MAPK1
SCHEMBL28983145 0.83 CHRM5 (0.73) CHRM5ALDH1A1LMNAALOX15MAPK1

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-115768771-A Arylsulfonyl derivatives and their use as muscarinic acetylcholine receptor M5 inhibitors 范德堡大学 2023-03-07 CN claimed
CN-115768771-A Arylsulfonyl derivatives and their use as muscarinic acetylcholine receptor M5 inhibitors 范德堡大学 2023-03-07 CN disclosed