SCHEMBL8974377

SCHEMBL8974377

CS(=O)(=O)c1ccc(C2=CCC=C2c2ccc(C#N)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.42
EPHX2 P34913 1/20 0.39
LRRK2 Q5S007 7/20 0.39
CCR6 P51684 1/20 0.36
PTGS1 P23219 1/20 0.36
FYN P06241 1/20 0.35
MAP4K4 O95819 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
TNIK Q9UKE5 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL9119214 0.81 PTGS2 (0.52) PTGS2EPHX2LRRK2CCR6PTGS1
SCHEMBL8974819 0.80 PTGS2 (0.56) PTGS2PTGS1FYNMAP4K4MINK1
SCHEMBL8974143 0.80 PTGS2 (0.63) PTGS2PTGS1GPR119
SCHEMBL8973804 0.79 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL8974293 0.79 PTGS2 (0.45) PTGS2PTGS1MAP4K4MINK1
SCHEMBL8655043 0.78 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8974448 0.78 PTGS2 (0.48) PTGS2LRRK2CCR6GPR119
SCHEMBL8973855 0.78 KCNH2 (0.55) PTGS2PTGS1MAP4K4MINK1
SCHEMBL561798 0.77 SLC40A1 (0.46) PTGS2EPHX2LRRK2
SCHEMBL8388632 0.76 PTGS2 (0.60) PTGS2PTGS1

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
US-5576339-A Pyridyl substituted cyclopentadienes for the treatment of inflamation HUANG HORNG-CHIH (US) 1996-11-19 US disclosed
WO-1995030656-A1 SUBSTITUTED CYCLOPENTADIENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO disclosed
US-5418254-A Side effect reduction G. D. SEARLE & CO. (US) 1995-05-23 US disclosed