SCHEMBL8895531

SCHEMBL8895531

O=C(O)CCCc1ccc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.53
MMP9 P14780 7/20 0.53
MMP1 P03956 3/20 0.53
MMP3 P08254 3/20 0.53
MMP7 P09237 3/20 0.53
MMP13 P45452 3/20 0.53
IDO1 P14902 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL8895021 0.92 NPSR1 (0.52) MMP2MMP9NPSR1ALDH1A1MAPT
SCHEMBL8895641 0.92 IDO1 (0.49) MMP2MMP9MMP1MMP3MMP7
SCHEMBL8895574 0.92 IDO1 (0.49) MMP2MMP9MMP1MMP3MMP7
SCHEMBL8898502 0.92 IDO1 (0.49) MMP2MMP9MMP1MMP3MMP7
SCHEMBL8896314 0.92 ALDH1A1 (0.51) MMP2MMP9MMP1MMP3MMP7
SCHEMBL8896353 0.91 MMP2 (0.50) MMP2MMP9MMP1MMP3MMP7
SCHEMBL8895500 0.90 IDO1 (0.50) MMP2MMP9MMP1MMP3MMP7
SCHEMBL8894761 0.89 ADAMTS5 (0.53) MMP2NPSR1ALDH1A1MAPTATM
SCHEMBL8895298 0.89 NPSR1 (0.50) MMP2MMP9NPSR1ALDH1A1MAPT
SCHEMBL8895835 0.89 NPSR1 (0.53) MMP9NPSR1ALDH1A1MAPTATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663392-A1 BENZENESULFONAMIDE DERIVATIVE AND USE THEREOF HOKURIKU SEIYAKU CO., LTD. (JP) 1995-07-19 EP claimed
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