SCHEMBL8895652

SCHEMBL8895652

COC(=O)CCCc1ccc(CC2(NS(=O)(=O)c3ccc(Br)cc3)CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
EGFR P00533 3/20 0.39
ERBB2 P04626 3/20 0.39
EPHX2 P34913 1/20 0.38
RAB9A P51151 2/20 0.37
GRK2 P25098 2/20 0.37
PPARG P37231 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL8895764 0.90 TBXA2R (0.42) IDO1EGFRERBB2KDM4EALDH1A1
SCHEMBL8897202 0.89 TBXAS1 (0.42) IDO1EGFRERBB2PPARGKDM4E
SCHEMBL8895561 0.89 TBXAS1 (0.42) IDO1EGFRERBB2PPARGKDM4E
SCHEMBL8897249 0.88 IDO1 (0.49) IDO1EGFRERBB2GRK2PPARG
SCHEMBL8894976 0.87 TBXA2R (0.42) IDO1EGFRERBB2KDM4EALDH1A1
SCHEMBL8896977 0.86 TBXA2R (0.41) IDO1KDM4EALDH1A1MMP1MMP13
SCHEMBL8896692 0.85 TBXA2R (0.43) IDO1EGFRERBB2EPHX2KDM4E
SCHEMBL8896800 0.83 IDO1 (0.46) IDO1EGFRERBB2RAB9AKDM4E
SCHEMBL8895621 0.82 IDO1 (0.45) IDO1EGFRERBB2PPARGKDM4E
SCHEMBL8897644 0.81 GAA (0.41) ALDH1A1GAASMN1; SMN2POLBMMP1

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