SCHEMBL219921

SCHEMBL219921

Cc1ccc(C(=O)NCCS(=O)(=O)NC2CCN(C(C)C)CC2)s1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.80
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NAMPT P43490 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
HTT P42858 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL219798 0.89 F10 (1.00) F10SMN1; SMN2
SCHEMBL222420 0.89 F10 (0.78) F10NPC1RAB9ASMN1; SMN2POLB
SCHEMBL3879178 0.84 F10 (0.60) F10ALDH1A1HRH3
Fumaric Acid SCHEMBL221972 0.84 F10 (0.89) F10SMN1; SMN2
SCHEMBL220661 0.83 F10 (0.89) F10
SCHEMBL220028 0.79 F10 (0.70) F10SMN1; SMN2KMT2AALDH1A1HRH3
SCHEMBL4592742 0.79 F10 (0.70) F10SMN1; SMN2KMT2AALDH1A1HRH3
SCHEMBL219792 0.78 F10 (0.81) F10SMN1; SMN2
SCHEMBL219936 0.76 F10 (0.61) F10NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL219802 0.76 F10 (0.65) F10

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 2 patents. 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 claimed
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