SCHEMBL8895500

SCHEMBL8895500

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
MMP2 P08253 5/20 0.49
MMP9 P14780 4/20 0.49
MMP1 P03956 3/20 0.49
MMP3 P08254 3/20 0.49
MMP7 P09237 3/20 0.49
MMP13 P45452 3/20 0.49
CTSL P07711 2/20 0.47
CTSS P25774 2/20 0.47
ALDH1A1 P00352 3/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 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
SCHEMBL8895584 0.93 ALDH1A1 (0.46) MMP2MMP9MMP7MMP13ALDH1A1
SCHEMBL8897619 0.92 IDO1 (0.50) IDO1MMP2MMP9MMP1MMP3
SCHEMBL8895380 0.92 IDO1 (0.50) IDO1MMP2MMP9MMP1MMP3
SCHEMBL8895679 0.91 IDO1 (0.49) IDO1MMP2ALDH1A1NPSR1RAB9A
SCHEMBL8896324 0.91 IDO1 (0.49) IDO1MMP2MMP9MMP1MMP3
SCHEMBL8894878 0.91 IDO1 (0.49) IDO1MMP2ALDH1A1NPSR1RAB9A
SCHEMBL8894760 0.91 ALDH1A1 (0.48) MMP9CTSLALDH1A1ATML3MBTL1
SCHEMBL8895597 0.90 ALDH1A1 (0.53) MMP2MMP9MMP1MMP3MMP13
SCHEMBL8896413 0.90 ALDH1A1 (0.45) MMP2MMP9ALDH1A1ATML3MBTL1
SCHEMBL8896474 0.90 ADAMTS5 (0.49) MMP2ALDH1A1ATML3MBTL1GAA

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