SCHEMBL28211577

SCHEMBL28211577

Cc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.65
GLA P06280 1/20 0.56
CNR2 P34972 4/20 0.51
MMP3 P08254 4/20 0.50
RORC P51449 2/20 0.50
AGER Q15109 1/20 0.50
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
ADAM17 P78536 1/20 0.49
MAPT P10636 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
MCL1 Q07820 1/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48

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
SCHEMBL6954421 0.88 TAS2R14 (0.53) TAS2R14GLACNR2MMP3RORC
SCHEMBL5190476 0.87 TAS2R14 (0.63) TAS2R14GLACNR2MMP3RORC
SCHEMBL8629669 0.86 TAS2R14 (0.55) TAS2R14GLACNR2MMP3RORC
SCHEMBL9187490 0.85 GLA (0.53) TAS2R14GLACNR2AGERMAPT
SCHEMBL16542984 0.83 AGER (0.53) TAS2R14GLAAGERMAPTMCOLN3
SCHEMBL7347286 0.83 MMP3 (0.76) TAS2R14MMP3MMP1MMP2MMP9
SCHEMBL7081150 0.82 MEN1 (0.60) TAS2R14GLACNR2MMP3RORC
SCHEMBL27550249 0.81 AGER (0.47) TAS2R14GLACNR2AGERMAPT
SCHEMBL10692733 0.80 GLA (0.59) TAS2R14GLACNR2AGERMAPT
SCHEMBL9485009 0.80 GLA (0.51) TAS2R14GLACNR2AGERMAPT

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-107954906-B Synthetic method of aryl sulfonyl tertiary amine compound 西北师范大学 2020-10-16 CN disclosed
CN-107954906-A A kind of synthetic method of arylsulfonyl tertiary amine compounds 西北师范大学 2018-04-24 CN disclosed