SCHEMBL8093896

SCHEMBL8093896

COc1nc(-c2cc(Cl)c(C)c(Cl)c2)c(-c2ccc(S(N)(=O)=O)cc2)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.45
PTGS1 P23219 8/20 0.45
CNR1 P21554 7/20 0.45
CNR2 P34972 5/20 0.45
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8093867 0.92 PTGS2 (0.55) PTGS2PTGS1CNR1CNR2KDM4E
SCHEMBL8092465 0.91 PTGS2 (0.46) PTGS2PTGS1CNR1CNR2KDM4E
SCHEMBL8095170 0.88 PTGS2 (0.46) PTGS2PTGS1CNR1KDM4EPOLB
SCHEMBL8099377 0.87 KDM4E (0.56) PTGS2PTGS1CNR1CNR2KDM4E
SCHEMBL8093664 0.86 KDM4E (0.45) PTGS2PTGS1CNR1CNR2KDM4E
SCHEMBL8094767 0.85 CNR1 (0.52) PTGS2PTGS1CNR1CNR2KDM4E
SCHEMBL8096123 0.85 PTGS2 (0.47) PTGS2PTGS1CNR1CNR2KDM4E
SCHEMBL8095836 0.85 KDM4E (0.45) CNR1CNR2KDM4EPOLBMEN1
SCHEMBL8100868 0.85 CA2 (0.51) PTGS2CNR1CNR2KDM4EPOLB
SCHEMBL8094021 0.85 KDM4E (0.47) CNR1CNR2KDM4EPOLBMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808304-B1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-12-27 EP claimed