SCHEMBL8692108

SCHEMBL8692108

O=S(=O)(c1ccc2c(Cl)cccc2c1)N1CC2CC1CN2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.54
HTR6 P50406 1/20 0.47
CCR4 P51679 9/20 0.40
GHSR Q92847 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
F10 P00742 1/20 0.38
GBA1 P04062 1/20 0.38
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL31471901 0.83 HSD11B1 (0.61) HSD11B1MEN1ALDH1A1KMT2A
SCHEMBL10231078 0.83 HSD11B1 (0.61) HSD11B1MEN1ALDH1A1KMT2A
SCHEMBL1618372 0.83 HSD11B1 (0.61) HSD11B1MEN1ALDH1A1KMT2A
SCHEMBL31471909 0.80 HSD11B1 (0.57) HSD11B1HTR6CYP3A4MEN1ALDH1A1
SCHEMBL8696222 0.78 NAMPT (0.42) HSD11B1HTR6CCR4GHSRCYP1A2
SCHEMBL9091868 0.78 HTR6 (0.41) HSD11B1HTR6CCR4GHSRCYP1A2
SCHEMBL8691870 0.75 HTR6 (0.49) HTR6CCR4GHSRCYP1A2CYP3A4
SCHEMBL31471844 0.75 HSD11B1 (0.61) HSD11B1HTR6MEN1KMT2AALOX5AP
SCHEMBL566287 0.74 HSD11B1 (0.54) HSD11B1ALOX5APFEN1CHRNB2CHRNA4
SCHEMBL4413069 0.74 HSD11B1 (0.70) HSD11B1ALDH1A1KMT2AALOX5APFEN1

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
US-5707985-A Naphthyl-, quinolyl- and isoquinolyl- sulfonamide derivatives as cell adhesion modulators TANABE SEIYAKU CO. LTD. (JP) 1998-01-13 US disclosed
WO-1996040641-A1 SULFONAMIDE DERIVATIVES AS CELL ADHESION MODULATORS TANABE SEIYAKU CO., LTD. (JP) 1996-12-19 WO disclosed