SCHEMBL8896366

SCHEMBL8896366

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 4/20 0.47
IDO1 P14902 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MMP2 P08253 5/20 0.46
MMP9 P14780 5/20 0.46
RAB9A P51151 1/20 0.44
MMP1 P03956 4/20 0.43
MMP3 P08254 4/20 0.43
MMP7 P09237 4/20 0.43
MMP13 P45452 4/20 0.43
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41

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 0.97 NPSR1 (0.48) NPSR1ALDH1A1IDO1ATML3MBTL1
SCHEMBL8895656 0.96 NPSR1 (0.47) NPSR1ALDH1A1IDO1ATML3MBTL1
SCHEMBL8896330 0.91 NPSR1 (0.51) NPSR1ALDH1A1IDO1ATML3MBTL1
SCHEMBL8896179 0.91 NPSR1 (0.51) NPSR1ALDH1A1IDO1ATML3MBTL1
SCHEMBL8895338 0.90 IDO1 (0.51) NPSR1ALDH1A1IDO1ATML3MBTL1
SCHEMBL8895816 0.90 NPSR1 (0.47) NPSR1ALDH1A1IDO1ATML3MBTL1
SCHEMBL8894907 0.89 NPSR1 (0.49) NPSR1ALDH1A1ATML3MBTL1
SCHEMBL8895062 0.89 FFAR1 (0.50) NPSR1ALDH1A1ATML3MBTL1MMP2
SCHEMBL8896804 0.89 NPSR1 (0.52) NPSR1ALDH1A1IDO1ATML3MBTL1
SCHEMBL8896353 0.88 MMP2 (0.50) NPSR1ALDH1A1IDO1ATML3MBTL1

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