SCHEMBL220526

SCHEMBL220526

CC(C)N1CCC(NS(=O)(=O)C(CNC(=O)c2ccc(Cl)s2)CC(=O)N2CCN(C)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.60
F2 P00734 8/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
F9 P00740 2/20 0.41
PLG P00747 2/20 0.41
PLAT P00750 2/20 0.41
KLKB1 P03952 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
TSHR P16473 1/20 0.38

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
SCHEMBL221393 0.91 F10 (0.59) F10F2LMNAKMT2APLAT
SCHEMBL221322 0.88 F10 (0.66) F10F2LMNAMAPK1TSHR
SCHEMBL222308 0.87 F10 (0.65) F10LMNAMAPK1TSHR
SCHEMBL223513 0.86 F10 (0.68) F10LMNAMAPK1TSHR
SCHEMBL220658 0.85 F10 (0.63) F10LMNAMAPK1TSHR
SCHEMBL222580 0.84 F10 (0.66) F10F2LMNATSHR
SCHEMBL223191 0.84 F10 (0.65) F10F2LMNAMAPK1TSHR
SCHEMBL219591 0.83 F10 (0.72) F10LMNAMAPK1KMT2ATSHR
SCHEMBL220513 0.83 F10 (0.64) F10F2LMNATSHR
SCHEMBL3878921 0.76 F10 (0.35) F10TSHR

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