SCHEMBL6076068

SCHEMBL6076068

C=CCNC(=O)C1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(N4CCC(C)CC4)n3)[nH]2)OC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.64
MAPK12 P53778 11/20 0.64
MAPK11 Q15759 11/20 0.64
MAPK14 Q16539 11/20 0.64
SOAT1 P35610 1/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5770799 0.94 MAPK13 (0.66) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5770323 0.93 MAPK13 (0.66) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5769876 0.92 MAPK13 (0.65) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5773326 0.92 MAPK13 (0.65) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5767640 0.86 MAPK13 (0.69) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5771864 0.86 MAPK13 (0.70) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5768554 0.85 MAPK14 (0.85) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5768798 0.85 MAPK13 (0.76) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5768812 0.84 MAPK14 (0.73) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5770997 0.84 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14SOAT1

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
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed