SCHEMBL9081966

SCHEMBL9081966

CCOC(C)n1c(CO)nc(-c2ccc(F)cc2)c1-c1nc(SC)cn1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 4/20 0.35
GABRB2 P47870 4/20 0.35
MAPK14 Q16539 13/20 0.34
MAPK13 O15264 5/20 0.34
MAPK12 P53778 5/20 0.34
MAPK11 Q15759 5/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 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
SCHEMBL7090578 0.79 MAPK14 (0.42) GABRA2GABRB2MAPK14MAPK13MAPK12
SCHEMBL9277485 0.78 MAPT (0.37) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL7090574 0.72 ALOX5 (0.37) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7090577 0.71 MAPK14 (0.35) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7088083 0.65 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7090794 0.64 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11
SCHEMBL9006002 0.62 HMGCR (0.41) MAPK14MAPK13MAPK12MAPK11
SCHEMBL9791608 0.62 FAAH (0.45) MEN1ALDH1A1MAPTKMT2A
SCHEMBL7085315 0.62 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL9791607 0.59 FAAH (0.37) GABRA2GABRB2MAPT

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