SCHEMBL5318848

SCHEMBL5318848

COC(=O)/C=C/c1nn(Cc2ccc(Cl)cc2C)c2cc(S(C)(=O)=O)ccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.39
LMNA P02545 2/20 0.39
ENPP2 Q13822 1/20 0.38
MAPK8 P45983 2/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.35
PPARG P37231 3/20 0.34
SLC22A12 Q96S37 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
PMP22 Q01453 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMO O15229 1/20 0.33

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
SCHEMBL5318851 1.00 PTGS2 (0.39) PTGS2LMNAENPP2MAPK8PTGDR2
SCHEMBL5318927 0.92 LMNA (0.44) PTGS2LMNAENPP2PPARGALDH1A1
SCHEMBL5318933 0.92 LMNA (0.44) PTGS2LMNAENPP2PPARGALDH1A1
SCHEMBL5317819 0.90 ENPP2 (0.41) PTGS2LMNAENPP2MAPK8PTGDR2
SCHEMBL5317823 0.90 ENPP2 (0.41) PTGS2LMNAENPP2MAPK8PTGDR2
SCHEMBL5324062 0.90 ENPP2 (0.42) PTGS2ENPP2PTGDR2SLC22A12CYP1A2
SCHEMBL5324065 0.90 ENPP2 (0.42) PTGS2ENPP2PTGDR2SLC22A12CYP1A2
SCHEMBL5319334 0.86 ENPP2 (0.40) LMNAENPP2PTGDR2PPARGSLC22A12
SCHEMBL5319335 0.86 ENPP2 (0.40) LMNAENPP2PTGDR2PPARGSLC22A12
SCHEMBL5320079 0.85 ENPP2 (0.38) LMNAENPP2ALDH1A1NPSR1

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