SCHEMBL8895709

SCHEMBL8895709

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
MMP2 P08253 3/20 0.44
MMP9 P14780 3/20 0.44
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MMP1 P03956 2/20 0.40
MMP3 P08254 2/20 0.40
MMP7 P09237 2/20 0.40
MMP13 P45452 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
AKT1 P31749 2/20 0.38
IRS1 P35568 2/20 0.38
GAB1 Q13480 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGER2 P43116 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL8896744 0.99 IDO1 (0.49) IDO1MMP2MMP9RAB9AALDH1A1
SCHEMBL8895338 0.97 IDO1 (0.51) IDO1MMP2MMP9RAB9AALDH1A1
SCHEMBL8894851 0.92 IDO1 (0.50) IDO1MMP2MMP9RAB9AALDH1A1
SCHEMBL8895460 0.91 UTS2R (0.44) IDO1ALDH1A1ATML3MBTL1NPSR1
SCHEMBL8895359 0.90 HSD17B10 (0.49) MMP2MMP9ALDH1A1MMP1MMP3
SCHEMBL8896101 0.90 FFAR1 (0.47) IDO1RAB9AALDH1A1ATML3MBTL1
SCHEMBL8897166 0.90 UTS2R (0.46) ALDH1A1ATML3MBTL1NPSR1
SCHEMBL8896362 0.90 IDO1 (0.50) IDO1MMP2MMP9RAB9AALDH1A1
SCHEMBL8897243 0.90 ALDH1A1 (0.47) MMP2MMP9ALDH1A1ATML3MBTL1
SCHEMBL8896292 0.90 NPSR1 (0.48) IDO1MMP2MMP9RAB9AALDH1A1

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