SCHEMBL9012633

SCHEMBL9012633

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.40
KIF11 P52732 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA5A P35218 2/20 0.33
CA9 Q16790 2/20 0.33
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 3/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
ABCB11 O95342 1/20 0.32
DDR1 Q08345 1/20 0.32

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
SCHEMBL9013024 0.87 NOTUM (0.40) NOTUMKIF11PDE3BPDE3ACA1
SCHEMBL9012652 0.84 PIK3CD (0.31) CA1CA2PIK3CDPIK3CAPIK3CB
SCHEMBL9012744 0.82 NR1H2 (0.41) KIF11NR1H2NR1H3KMT2ALMNA
SCHEMBL9012821 0.81 L3MBTL1 (0.32) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL9012601 0.80 LMNA (0.34) LMNARAB9ANPSR1
SCHEMBL9012755 0.75 PTGS2 (0.44) MAPTLMNAPOLBNPC1RAB9A
SCHEMBL5790164 0.75 PTGS2 (0.41) KIF11
SCHEMBL9012677 0.74 PTGS2 (0.40) NOTUMNR1H2NR1H3LMNA
SCHEMBL6044343 0.73 PTGS2 (0.44) NPC1RAB9A
SCHEMBL16719622 0.72 PTGS2 (0.40) NOTUM

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