SCHEMBL7108281

SCHEMBL7108281

COc1ccc(C=CC(=O)NCCc2ccc(OC)c(S(N)(=O)=O)c2)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LY96 Q9Y6Y9 1/20 0.65
MAPT P10636 8/20 0.58
ALDH1A1 P00352 4/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
LMNA P02545 2/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 3/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
ACHE P22303 2/20 0.49
TYR P14679 1/20 0.49
BCHE P06276 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
OPRM1 P35372 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
SCHEMBL7108279 1.00 LY96 (0.65) LY96MAPTALDH1A1CA12CA1
SCHEMBL7657277 0.92 LY96 (0.58) LY96MAPTALDH1A1CA12CA1
SCHEMBL7109497 0.92 LY96 (0.58) LY96MAPTALDH1A1CA12CA1
SCHEMBL7657276 0.92 LY96 (0.58) LY96MAPTALDH1A1CA12CA1
SCHEMBL7109500 0.92 LY96 (0.58) LY96MAPTALDH1A1CA12CA1
SCHEMBL3775827 0.92 LY96 (0.62) LY96MAPTALDH1A1CA12CA1
SCHEMBL3765267 0.92 LY96 (0.62) LY96MAPTALDH1A1CA12CA1
SCHEMBL7667968 0.91 LY96 (0.57) LY96MAPTALDH1A1CA12CA1
SCHEMBL7667963 0.91 LY96 (0.57) LY96MAPTALDH1A1CA12CA1
SCHEMBL7110372 0.90 LY96 (0.56) LY96MAPTALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183236-B1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA GMBH (DE) 2003-10-22 EP disclosed
EP-1183236-A1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES Aventis Pharma Deutschland GmbH (DE) 2002-03-06 EP disclosed
US-6350778-B1 CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-02-26 US disclosed
WO-2000071513-A1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-30 WO disclosed