SCHEMBL221393

SCHEMBL221393

CC(C)N1CCC(NS(=O)(=O)C(CNC(=O)c2ccc(Cl)s2)CC(=O)N2CCOCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.59
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
F2 P00734 10/20 0.41
KLKB1 P03952 2/20 0.41
PLAT P00750 1/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ABCB11 O95342 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37

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
SCHEMBL220526 0.91 F10 (0.60) F10LMNATSHRF2KLKB1
SCHEMBL221322 0.87 F10 (0.66) F10LMNATSHRF2
SCHEMBL222308 0.86 F10 (0.65) F10LMNATSHR
SCHEMBL223513 0.85 F10 (0.68) F10LMNATSHR
SCHEMBL220658 0.85 F10 (0.63) F10LMNATSHR
SCHEMBL222580 0.84 F10 (0.66) F10LMNATSHRF2
SCHEMBL223191 0.83 F10 (0.65) F10LMNATSHRF2
SCHEMBL219591 0.82 F10 (0.72) F10LMNATSHRKMT2A
SCHEMBL220513 0.82 F10 (0.64) F10LMNATSHRF2
SCHEMBL3878883 0.76 HRH3 (0.37) F10MEN1ALDH1A1KMT2A

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
US-8088925-B2 low molecular weight factor Xa specific blood clotting inhibitors; less side effects; 5-Chloro-thiophene-2-carboxylic acid [2-(1-isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide; thromboembolic diseases or restenosis; antithrombotic agents SANOFI-AVENTIS (FR) 2012-01-03 US disclosed