SCHEMBL5505271

SCHEMBL5505271

CCCCN(CCC)S(=O)(=O)c1ccccc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA9 Q16790 3/20 0.48
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ESR2 Q92731 1/20 0.43
CA2 P00918 1/20 0.43
RAB9A P51151 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
ABCC2 Q92887 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
UGT1A7 Q9HAW7 1/20 0.43
SLC22A11 Q9NSA0 1/20 0.43
HCRTR2 O43614 1/20 0.43
PTPN1 P18031 1/20 0.42

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
SCHEMBL3693999 0.97 TSHR (0.49) CA12CA9TSHRTDP1ALDH1A1
SCHEMBL5507153 0.95 CA12 (0.47) CA12CA9TSHRTDP1ALDH1A1
SCHEMBL2583710 0.90 TSHR (0.57) TSHRTDP1ALDH1A1KMT2AMEN1
SCHEMBL9307793 0.90 ALDH1A1 (0.47) CA12CA9TSHRTDP1ALDH1A1
SCHEMBL9308951 0.84 TSHR (0.50) CA12CA9TSHRTDP1ALDH1A1
SCHEMBL6062172 0.83 TSHR (0.49) CA12CA9TSHRTDP1ALDH1A1
SCHEMBL9683547 0.81 SMN1; SMN2 (0.46) CA12CA9ALDH1A1KMT2AMEN1
SCHEMBL9001236 0.79 ALDH1A1 (0.54) TSHRTDP1ALDH1A1KMT2AMEN1
SCHEMBL10693402 0.79 TSHR (0.48) CA12CA9TSHRTDP1ALDH1A1
SCHEMBL9305533 0.79 HTT (0.54) CA12CA9TSHRTDP1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549306-A4 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH CORP (US) 2007-06-06 EP claimed
EP-1549306-A1 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION Wyeth (US) 2005-07-06 EP claimed
WO-2003103660-A1 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2003-12-18 WO claimed