SCHEMBL8886932

SCHEMBL8886932

CCOC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(S(C)(=O)=O)cc2)c1Cl

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.66
CA9 Q16790 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
CHRNA7 P36544 4/20 0.51
CA12 O43570 1/20 0.48
TARBP2 Q15633 1/20 0.47

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
SCHEMBL5594811 0.79 PTGS2 (1.00) PTGS2GABRA2GABRB2
SCHEMBL5594813 0.79 PTGS2 (0.55) PTGS2
SCHEMBL5594725 0.78 PTGS2 (0.55) PTGS2
SCHEMBL5594133 0.78 PTGS2 (0.55) PTGS2
SCHEMBL6332827 0.77 CNR1 (0.53) GABRA2GABRB2CHRNA7
SCHEMBL8884924 0.73 PTGS2 (0.60) PTGS2
SCHEMBL8422289 0.73 PTGS2 (0.57) PTGS2CA9CA1CA2CA4
SCHEMBL3024651 0.72 CHRNA7 (0.60) PTGS2CA9CA1CA2CA4
SCHEMBL4510377 0.72 CNR1 (0.55) GABRA2GABRB2
SCHEMBL8423687 0.71 PTGS2 (0.66) PTGS2CA9CHRNA7

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
US-5616601-A 1,2-aryl and heteroaryl substituted imidazolyl compounds for the treatment of inflammation GD SEARLE & CO (US) 1997-04-01 US disclosed