SCHEMBL22010263

SCHEMBL22010263

COC(=O)c1cc(Br)c(S(=O)(=O)Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
KDM4E B2RXH2 6/20 0.40
MAPT P10636 4/20 0.40
MCL1 Q07820 1/20 0.39
PTPN2 P17706 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL21962947 0.87 PTGS1 (0.45) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL8888381 0.85 LMNA (0.44) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL22021189 0.82 MCL1 (0.45) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL2305822 0.82 MCL1 (0.51) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL20681176 0.81 LMNA (0.42) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL1529851 0.76 DAO (0.43) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL1529974 0.75 GSK3B (0.53) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL24978772 0.75 MCL1 (0.45) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL1529472 0.74 CSNK2A2 (0.45) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL2304762 0.73 MCL1 (0.49) LMNANPSR1PPARGNCOA2NCOA1

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
EP-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 EP disclosed
WO-2020102100-A9 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-01-06 WO disclosed
WO-2020102100-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed