SCHEMBL9012601

SCHEMBL9012601

CS(=O)(=O)c1ccc[c]c1-c1ccc(Br)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGS2 P35354 5/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
SCN9A Q15858 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL9012652 0.87 PIK3CD (0.31)
SCHEMBL9012821 0.84 L3MBTL1 (0.32) PTGS2
SCHEMBL6401586 0.83 PTGS2 (0.50) PTGS2
SCHEMBL9012724 0.83 EPAS1 (0.34)
SCHEMBL9012694 0.82 PTGS2 (0.44) LMNANPSR1PTGS2KDM4EALDH1A1
SCHEMBL6402326 0.81 PTGS2 (0.52) PTGS2
SCHEMBL9012951 0.81 PTGS2 (0.42) LMNANPSR1PTGS2SCN9A
SCHEMBL9012633 0.80 NOTUM (0.40) LMNANPSR1RAB9A
SCHEMBL5790937 0.79 KDM4E (0.44) PTGS2KDM4EALDH1A1RAB9A
SCHEMBL9012755 0.78 PTGS2 (0.44) LMNAPTGS2KDM4EALDH1A1RAB9A

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
EP-0743938-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-27 EP disclosed
WO-1995021817-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-08-17 WO disclosed