SCHEMBL3872611

SCHEMBL3872611

O=C(NCCS(=O)(=O)NC1CNC1)Oc1ccc(Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.46
MMP8 P22894 2/20 0.33
MMP12 P39900 2/20 0.33
MMP13 P45452 2/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC2 Q92769 1/20 0.31

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
SCHEMBL3921640 0.83 F10 (0.53) F10MMP8MMP12MMP13ALDH1A1
SCHEMBL3872859 0.83 F10 (0.58) F10
SCHEMBL3873911 0.81 F10 (0.72) F10
SCHEMBL222335 0.81 F10 (0.67) F10GAAHPGDHTTKMT2A
Hydrochloric Acid SCHEMBL223131 0.80 F10 (0.66) F10GAAHPGDHTTKMT2A
SCHEMBL3873832 0.75 F10 (0.65) F10
SCHEMBL3874864 0.70 LMNA (0.45) KMT2A
SCHEMBL3879178 0.69 F10 (0.60) F10ALDH1A1
SCHEMBL3879613 0.68 F10 (0.59) F10ALDH1A1HPGD
SCHEMBL3233576 0.67 F10 (0.38) F10ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888567-B1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS SANOFI AVENTIS (FR) 2009-12-16 EP claimed