SCHEMBL6983137

SCHEMBL6983137

COC(=O)c1ccc(C(Br)C=O)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.46
LMNA P02545 3/20 0.46
PPARG P37231 2/20 0.46
NCOA1 Q15788 2/20 0.46
NCOA3 Q9Y6Q9 2/20 0.46
NCOA2 Q15596 1/20 0.46
HPGD P15428 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
DAO P14920 1/20 0.39
NOTUM Q6P988 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
POLB P06746 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL27192566 0.85 NPSR1 (0.50) NPSR1LMNAPPARGNCOA1NCOA3
SCHEMBL7454968 0.83 NPSR1 (0.51) NPSR1LMNAPPARGNCOA1NCOA3
SCHEMBL27593353 0.80 NPSR1 (0.43) NPSR1LMNAPPARGNCOA1NCOA3
SCHEMBL2403566 0.78 NPSR1 (0.53) NPSR1LMNAPPARGNCOA1NCOA3
SCHEMBL2654349 0.76 NPSR1 (0.51) NPSR1LMNAPPARGNCOA1NCOA3
SCHEMBL8629996 0.76 DAO (0.67) NPSR1LMNAPPARGNCOA1NCOA3
SCHEMBL3333257 0.76 NPSR1 (0.51) NPSR1LMNAPPARGNCOA1NCOA3
SCHEMBL14448557 0.75 NPSR1 (0.50) NPSR1LMNAPPARGNCOA1NCOA3
SCHEMBL8254639 0.75 NPSR1 (0.50) NPSR1LMNAPPARGNCOA1NCOA3
SCHEMBL2406988 0.75 NPSR1 (0.50) NPSR1LMNAPPARGNCOA1NCOA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110372692-A Dihydroquinazoline ketone antiport process blocking agent, preparation method and the usage 中国人民解放军军事科学院军事医学研究院 2019-10-25 CN disclosed
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO disclosed