SCHEMBL8896744

SCHEMBL8896744

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
MMP9 P14780 5/20 0.43
MMP2 P08253 3/20 0.43
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.42
MMP13 P45452 4/20 0.40
MMP1 P03956 3/20 0.40
MMP3 P08254 2/20 0.40
MMP7 P09237 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKT1 P31749 2/20 0.39
IRS1 P35568 2/20 0.39
GAB1 Q13480 2/20 0.39
PTGER2 P43116 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADAM17 P78536 2/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
CA12 O43570 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
SCHEMBL8895709 0.99 IDO1 (0.50) IDO1MMP9MMP2ALDH1A1RAB9A
SCHEMBL8895338 0.96 IDO1 (0.51) IDO1MMP9MMP2ALDH1A1RAB9A
SCHEMBL8894851 0.91 IDO1 (0.50) IDO1MMP9MMP2ALDH1A1RAB9A
SCHEMBL8895738 0.90 UTS2R (0.45) ALDH1A1ATML3MBTL1AKT1IRS1
SCHEMBL8897125 0.90 UTS2R (0.45) ALDH1A1ATML3MBTL1AKT1IRS1
SCHEMBL8897755 0.90 FFAR1 (0.47) IDO1ALDH1A1RAB9AATML3MBTL1
SCHEMBL8895286 0.90 UTS2R (0.45) ALDH1A1ATML3MBTL1AKT1IRS1
SCHEMBL8896086 0.90 UTS2R (0.45) ALDH1A1ATML3MBTL1AKT1IRS1
SCHEMBL8895460 0.90 UTS2R (0.44) IDO1ALDH1A1ATML3MBTL1AKT1
SCHEMBL8895656 0.90 NPSR1 (0.47) IDO1MMP9MMP2ALDH1A1RAB9A

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