SCHEMBL27745002

SCHEMBL27745002

CN(C#N)c1nccc(-c2[nH]c(C3OCC(C)(CNC(=O)c4ccccc4)CO3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.55
MAPK12 P53778 11/20 0.55
MAPK11 Q15759 11/20 0.55
MAPK14 Q16539 11/20 0.55
SOAT1 P35610 1/20 0.43

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
SCHEMBL5767688 0.92 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL27724640 0.91 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5770025 0.90 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5769271 0.90 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL27744982 0.90 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5769809 0.88 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5772144 0.87 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5769277 0.86 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5771522 0.86 MAPK14 (0.58) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5767833 0.86 MAPK14 (0.58) MAPK13MAPK12MAPK11MAPK14

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