SCHEMBL222034

SCHEMBL222034

CC(C)N1CCC(N(CCCOC2CCCCO2)S(=O)(=O)CCNC(=O)c2ccc(Cl)s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.53
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
F2 P00734 1/20 0.32

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
SCHEMBL221417 0.84 F10 (0.63) F10SMN1; SMN2MAPK1
SCHEMBL221251 0.84 F10 (0.63) F10SMN1; SMN2MAPK1
SCHEMBL219860 0.82 F10 (0.65) F10SMN1; SMN2MAPK1KMT2ALMNA
SCHEMBL220422 0.81 F10 (0.56) F10SMN1; SMN2MAPK1
SCHEMBL219743 0.79 F10 (0.63) F10SMN1; SMN2MAPK1KMT2ALMNA
SCHEMBL219872 0.78 F10 (0.63) F10SMN1; SMN2MAPK1
SCHEMBL220656 0.77 F10 (0.59) F10SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL221193 0.77 F10 (0.69) F10SMN1; SMN2MAPK1KMT2ALMNA
SCHEMBL3874022 0.77 MEN1 (0.32) MEN1KMT2A
SCHEMBL221616 0.76 F10 (0.60) F10MAPK1F2

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