SCHEMBL7110369

SCHEMBL7110369

COc1ccc(CCNC(=O)C=C(C)c2ccccc2)cc1S(N)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
ALOX12 P18054 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HTT P42858 1/20 0.46
ALOX5 P09917 1/20 0.45
USP2 O75604 1/20 0.44

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
SCHEMBL7110672 0.91 MAPT (0.51) MAPTTDP1CA1CA2CA7
SCHEMBL6191441 0.87 SMN1; SMN2 (0.52) MAPTCA1CA2CA7CA9
SCHEMBL7112531 0.84 ABCC9 (0.60) MAPTALDH1A1SMN1; SMN2HPGDALOX12
SCHEMBL7111646 0.82 MAPT (0.74) MAPTALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL7111643 0.82 MAPT (0.74) MAPTALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL7110665 0.81 ALDH1A1 (0.49) MAPTTDP1CA1CA2CA7
SCHEMBL7110662 0.81 ALDH1A1 (0.49) MAPTTDP1CA1CA2CA7
SCHEMBL7110367 0.80 ALDH1A1 (0.59) MAPTTDP1CA1CA2CA7
SCHEMBL7110365 0.80 ALDH1A1 (0.59) MAPTTDP1CA1CA2CA7
SCHEMBL4701732 0.77 KMT2A (0.55) MAPTCA1CA2CA7CA9

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