SCHEMBL5317823

SCHEMBL5317823

COC(=O)C=Cc1nn(Cc2ccc(Cl)cc2F)c2cc(S(C)(=O)=O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.41
PTGS2 P35354 2/20 0.38
KIT P10721 2/20 0.37
LMNA P02545 1/20 0.36
MAPK8 P45983 2/20 0.35
PPARG P37231 3/20 0.35
GRM2 Q14416 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34

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
SCHEMBL5317819 1.00 ENPP2 (0.41) ENPP2PTGS2KITLMNAMAPK8
SCHEMBL5318927 0.91 LMNA (0.44) ENPP2PTGS2LMNAPPARG
SCHEMBL5318933 0.91 LMNA (0.44) ENPP2PTGS2LMNAPPARG
SCHEMBL5318755 0.91 RXRA (0.40) ENPP2PTGS2PTGDR2NR1H2NR1H3
SCHEMBL5318756 0.91 RXRA (0.40) ENPP2PTGS2PTGDR2NR1H2NR1H3
SCHEMBL5319156 0.91 ENPP2 (0.48) ENPP2LMNAGRM2PTGDR2NR1H2
SCHEMBL5319158 0.91 ENPP2 (0.48) ENPP2LMNAGRM2PTGDR2NR1H2
SCHEMBL5318848 0.90 PTGS2 (0.39) ENPP2PTGS2LMNAMAPK8PPARG
SCHEMBL5318851 0.90 PTGS2 (0.39) ENPP2PTGS2LMNAMAPK8PPARG
SCHEMBL5317790 0.90 ENPP2 (0.45) ENPP2KITGRM2PTGDR2NR1H2

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-1786424-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT The University of Kansas (US) 2007-05-23 EP claimed
WO-2006023704-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT UNIVERSITY OF KANSAS (US) 2006-03-02 WO claimed