SCHEMBL27744835

SCHEMBL27744835

CC1(NC(=S)NCC2=COCO2)COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 12/20 0.60
MAPK12 P53778 12/20 0.60
MAPK11 Q15759 12/20 0.60
MAPK14 Q16539 12/20 0.60
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
RPS6KA3 P51812 1/20 0.42
RAF1 P04049 3/20 0.41
MAPK9 P45984 3/20 0.41
SOAT1 P35610 2/20 0.40

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
SCHEMBL6075891 0.91 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5770793 0.84 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5770990 0.84 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5773027 0.82 MAPK13 (0.70) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5770911 0.79 MAPK13 (0.70) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5771441 0.79 MAPK13 (0.76) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5771047 0.79 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5767625 0.79 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL27545930 0.79 MAPK14 (0.75) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5770779 0.79 MAPK13 (0.67) MAPK13MAPK12MAPK11MAPK14CSNK1A1

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
CN-100443481-C Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2008-12-17 CN claimed
CN-100443481-C Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2008-12-17 CN disclosed