SCHEMBL7108409

SCHEMBL7108409

CN(C)C=NS(=O)(=O)c1cc(CCNC(=O)C(F)(F)F)ccc1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
FDFT1 P37268 1/20 0.38
INSR P06213 1/20 0.38
ALK Q9UM73 1/20 0.38
LTA4H P09960 2/20 0.38
EPHX2 P34913 2/20 0.38
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
HTT P42858 1/20 0.36
NQO2 P16083 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7108406 1.00 ALDH1A1 (0.41) ALDH1A1FDFT1INSRALKLTA4H
SCHEMBL4705012 0.88 MTNR1A (0.40) ALDH1A1INSRALKTHRBSMN1; SMN2
SCHEMBL4705009 0.88 MTNR1A (0.40) ALDH1A1INSRALKTHRBSMN1; SMN2
SCHEMBL4703676 0.88 INSR (0.42) ALDH1A1INSRALKTHRBSMN1; SMN2
SCHEMBL4703678 0.88 INSR (0.42) ALDH1A1INSRALKTHRBSMN1; SMN2
SCHEMBL4701690 0.88 ALDH1A1 (0.40) ALDH1A1INSRALKTHRBSMN1; SMN2
SCHEMBL4701691 0.88 ALDH1A1 (0.40) ALDH1A1INSRALKTHRBSMN1; SMN2
SCHEMBL4699337 0.86 KMT2A (0.39) INSRALKSMN1; SMN2MEN1KMT2A
SCHEMBL4699335 0.86 KMT2A (0.39) INSRALKSMN1; SMN2MEN1KMT2A
SCHEMBL6193870 0.85 POLB (0.39) ALDH1A1INSRALKSMN1; SMN2MEN1

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