SCHEMBL8895656

SCHEMBL8895656

CCCCCCC(NS(=O)(=O)c1ccc(Br)cc1)c1ccc(CCCC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
MMP2 P08253 3/20 0.47
MMP9 P14780 3/20 0.47
ALDH1A1 P00352 4/20 0.46
IDO1 P14902 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
S1PR1 P21453 3/20 0.43
S1PR3 Q99500 3/20 0.43
S1PR2 O95136 2/20 0.43
RAB9A P51151 1/20 0.43
MMP1 P03956 2/20 0.43
MMP3 P08254 2/20 0.43
MMP7 P09237 2/20 0.43
MMP13 P45452 2/20 0.43
AKT1 P31749 1/20 0.42
IRS1 P35568 1/20 0.42
GAB1 Q13480 1/20 0.42

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
SCHEMBL8896292 0.99 NPSR1 (0.48) NPSR1MMP2MMP9ALDH1A1IDO1
SCHEMBL8896366 0.96 NPSR1 (0.49) NPSR1MMP2MMP9ALDH1A1IDO1
SCHEMBL8896179 0.91 NPSR1 (0.51) NPSR1MMP2MMP9ALDH1A1IDO1
SCHEMBL8896744 0.90 IDO1 (0.49) NPSR1MMP2MMP9ALDH1A1IDO1
SCHEMBL8894922 0.90 TBXAS1 (0.50) NPSR1ALDH1A1ATML3MBTL1CYSLTR2
SCHEMBL8894873 0.90 TBXAS1 (0.50) NPSR1ALDH1A1ATML3MBTL1CYSLTR2
SCHEMBL8898633 0.90 FFAR1 (0.48) NPSR1ALDH1A1ATML3MBTL1CYSLTR2
SCHEMBL8895793 0.90 TBXAS1 (0.50) NPSR1ALDH1A1ATML3MBTL1CYSLTR2
SCHEMBL8895059 0.90 TBXAS1 (0.50) NPSR1ALDH1A1ATML3MBTL1CYSLTR2
SCHEMBL8896960 0.90 ALDH1A1 (0.49) NPSR1ALDH1A1ATML3MBTL1CYSLTR2

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-5597848-A PLATELET AGGREGATION INHIBITORS, ANTITHROMBOTIC AGENTS, ANTIASTHMATIC AGENTS, ANTIALLERGIC AGENTS HOKURIKU SEIYAKU CO., LTD. (JP) 1997-01-28 US disclosed
EP-0663392-A1 BENZENESULFONAMIDE DERIVATIVE AND USE THEREOF HOKURIKU SEIYAKU CO., LTD. (JP) 1995-07-19 EP disclosed