SCHEMBL27518878

SCHEMBL27518878

[CH2]c1nccc(-c2[nH]c(C3OCC(C)(N)CO3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.53
MAPK12 P53778 11/20 0.53
MAPK11 Q15759 11/20 0.53
MAPK14 Q16539 11/20 0.53
SOAT1 P35610 1/20 0.46

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
SCHEMBL5772494 0.90 MAPK14 (0.53) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5767841 0.88 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL27519340 0.88 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5768483 0.87 MAPK14 (0.54) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5769184 0.87 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5769166 0.87 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5770468 0.86 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14
SCHEMBL27521062 0.86 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL27521143 0.86 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL27520872 0.86 MAPK13 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1273584-A Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2000-11-15 CN claimed
CN-1273584-A Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2000-11-15 CN disclosed