SCHEMBL8694802

SCHEMBL8694802

O=S(=O)(c1ccc2c(c1)CCCN2)N1CC2CCC(CC2)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
HTR2C P28335 3/20 0.43
HTR2B P41595 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KCNH2 Q12809 1/20 0.39
BRD4 O60885 1/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL15711202 0.82 MAPT (0.64) MAPTCA12CA1CA2CA9
SCHEMBL14476216 0.78 MAPT (1.00) MAPTCA12CA1CA2CA9
SCHEMBL1156423 0.76 POLB (0.52) MAPTCA12CA1CA2CA9
SCHEMBL31130054 0.75 HTR2C (0.68) MAPTCA12CA1CA2CA9
SCHEMBL1156335 0.75 HTR2C (0.68) MAPTCA12CA1CA2CA9
SCHEMBL515171 0.74 CA12 (0.71) MAPTCA12CA1CA2CA9
SCHEMBL3362013 0.74 CA12 (0.71) MAPTCA12CA1CA2CA9
SCHEMBL31231831 0.74 CA1 (1.00) MAPTCA12CA1CA2CA9
SCHEMBL4162141 0.74 CA1 (1.00) MAPTCA12CA1CA2CA9
SCHEMBL9236433 0.74 CA12 (0.71) MAPTCA12CA1CA2CA9

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