SCHEMBL8993525

SCHEMBL8993525

CS(=O)(=O)c1ncc(C(F)(F)F)c(C2=CCCC2)c1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.32
CDK2 P24941 1/20 0.31
KDR P35968 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
PTGS2 P35354 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
SCHEMBL8993429 0.69 PTGS2 (0.30) PTGS2
SCHEMBL8993563 0.67 PTGS2 (0.35) PTGS2
SCHEMBL15074480 0.60 GLP1R (0.38) LRRK2PTGS2
SCHEMBL30254246 0.59 GLP1R (0.37) LRRK2PTGS2
SCHEMBL15052853 0.59 GLP1R (0.37) LRRK2PTGS2
SCHEMBL22077205 0.58 TRPV1 (0.40) LRRK2PDE3BPDE3A
SCHEMBL31435340 0.58 PIK3R1 (0.37) LRRK2CDK2KDRPDE3BPDE3A
SCHEMBL31435349 0.57 PDE3B (0.40) PDE3BPDE3A
SCHEMBL31435315 0.57 CSF1R (0.36) PDE3BPDE3A
SCHEMBL8338246 0.57 ASPH (0.41) PTGS2

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-0724566-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO disclosed