SCHEMBL9277485

SCHEMBL9277485

CCOC(C)n1c(CO)nc(-c2ccc(F)cc2)c1-c1nc(SC)c(-c2ccccc2)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
TP53 P04637 3/20 0.37
POLB P06746 1/20 0.37
MAPK14 Q16539 5/20 0.35
ALOX5 P09917 4/20 0.35
MAPK13 O15264 2/20 0.35
GCGR P47871 2/20 0.35
MAPK12 P53778 2/20 0.35
MAPK11 Q15759 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL9081966 0.78 GABRA2 (0.35) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL7090574 0.77 ALOX5 (0.37) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL7090577 0.77 MAPK14 (0.35) MAPK14ALOX5MAPK13GCGRMAPK12
SCHEMBL7090578 0.72 MAPK14 (0.42) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL7088083 0.67 MAPK14 (0.43) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL9791608 0.67 FAAH (0.45) MAPTPOLBNPSR1KDM4EALDH1A1
SCHEMBL7090794 0.66 MAPK14 (0.43) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL9006002 0.64 HMGCR (0.41) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7085315 0.64 MAPK14 (0.42) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL9791607 0.62 FAAH (0.37) MAPTSMN1; SMN2NPSR1

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
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed