SCHEMBL14033944

SCHEMBL14033944

Cc1[nH]c(=S)n(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
MAPK14 Q16539 10/20 0.40
GCGR P47871 3/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK13 O15264 5/20 0.39
MAPK12 P53778 5/20 0.39
MAPK11 Q15759 5/20 0.39
RIPK3 Q9Y572 1/20 0.39
FLT3 P36888 1/20 0.38
SRC P12931 1/20 0.38
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CSNK1D P48730 1/20 0.38

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
SCHEMBL14033947 0.81 ALDH1A1 (0.40) TDP1MAPK14HPGDALDH1A1
SCHEMBL5104334 0.77 MAPK14 (0.54) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5097721 0.77 RIPK3 (0.52) TDP1MAPK14GCGRMAPK13MAPK12
SCHEMBL15452371 0.74 TDP1 (0.76) TDP1HPGDALDH1A1POLBL3MBTL1
SCHEMBL5104405 0.71 MAPK14 (0.43) MAPK14GCGRALDH1A1MAPK13MAPK12
SCHEMBL5091913 0.70 MAPK14 (0.54) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5640212 0.70 MAPK14 (0.41) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL14033245 0.70 MAPK14 (0.54) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL4474345 0.68 CA12 (0.61) MAPK14GCGRHPGDALDH1A1L3MBTL1
SCHEMBL5098251 0.67 MAPK14 (0.48) TDP1MAPK14GCGRPOLBMAPK13

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442713-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE GMBH (DE) 2008-10-28 US disclosed
US-7442713-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE GMBH (DE) 2008-10-28 US disclosed
US-7253191-B2 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry MERCKLE GMBH (DE) 2007-08-07 US disclosed
US-7253191-B2 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry MERCKLE GMBH (DE) 2007-08-07 US disclosed