SCHEMBL5201677

SCHEMBL5201677

CC(C)(C)c1cc(NC(=O)C(F)(F)F)n(CCC2CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.43
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
KDM1A O60341 1/20 0.40
MAPK13 O15264 4/20 0.40
MAPK11 Q15759 3/20 0.39
MAPK12 P53778 2/20 0.39
CNR2 P34972 1/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BRAF P15056 1/20 0.38
ERBB2 P04626 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
SCHEMBL283058 0.89 MAPK14 (0.53) MAPK14MAPK13CNR2
SCHEMBL284059 0.85 MAPK14 (0.45) MAPK14MAPTLMNAMAPK13MAPK11
SCHEMBL283980 0.84 MAPK14 (0.49) MAPK14MAPK13
SCHEMBL283651 0.84 MAPK14 (0.49) MAPK14MAPK13MAPK11MAPK12
SCHEMBL476143 0.82 CNR2 (0.51) MAPK14MAPTLMNACNR2BRAF
SCHEMBL283286 0.81 CNR1 (0.56) MAPK14CNR2
SCHEMBL288767 0.81 MAPK14 (0.47) MAPK14MAPK13CNR2
SCHEMBL283743 0.80 CNR2 (0.43) MAPK14MAPTLMNACNR2MAPK1
SCHEMBL476129 0.79 BRAF (0.42) MAPK14MAPTLMNAMAPK13MAPK11
SCHEMBL4139014 0.79 CNR2 (0.56) MAPK14MAPTLMNAMAPK13MAPK11

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
EP-1820504-A1 IMINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-08-22 EP disclosed