SCHEMBL8896786

SCHEMBL8896786

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
RAB9A P51151 1/20 0.42
MMP2 P08253 6/20 0.38
MMP1 P03956 5/20 0.38
MMP3 P08254 5/20 0.38
MMP13 P45452 5/20 0.38
MMP9 P14780 5/20 0.38
MMP7 P09237 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.38
EGFR P00533 2/20 0.38
ERBB2 P04626 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EEF2K O00418 1/20 0.37
POLB P06746 1/20 0.36
GRK2 P25098 1/20 0.35

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
SCHEMBL8895791 0.98 IDO1 (0.48) IDO1RAB9AMMP2MMP1MMP3
SCHEMBL8895375 0.96 IDO1 (0.49) IDO1RAB9AMMP2MMP1MMP3
SCHEMBL8896048 0.90 UTS2R (0.45) IDO1NPSR1ALDH1A1
SCHEMBL8896082 0.90 SIGMAR1 (0.41) IDO1RAB9AMMP2MMP9NPSR1
SCHEMBL8897207 0.90 ALDH1A1 (0.43) IDO1NPSR1ALDH1A1ATML3MBTL1
SCHEMBL8895338 0.90 IDO1 (0.51) IDO1RAB9AMMP2MMP1MMP3
SCHEMBL8895816 0.90 NPSR1 (0.47) IDO1RAB9AMMP2MMP1MMP3
SCHEMBL8894851 0.89 IDO1 (0.50) IDO1RAB9AMMP2MMP1MMP3
SCHEMBL8895709 0.89 IDO1 (0.50) IDO1RAB9AMMP2MMP1MMP3
SCHEMBL8896362 0.89 IDO1 (0.50) IDO1RAB9AMMP2MMP1MMP3

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