SCHEMBL5203076

SCHEMBL5203076

CC(C)(C)OC(=O)ON1CCN(C(=O)C(=O)c2c[nH]c3ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CHRM2 P08172 1/20 0.44
MAPK14 Q16539 2/20 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
SCHEMBL5201473 0.91 MEN1 (0.54) MEN1KMT2ACHRM2
SCHEMBL5202501 0.85 MEN1 (0.58) MEN1KMT2ACHRM2
SCHEMBL14571605 0.85 MEN1 (0.58) MEN1KMT2A
SCHEMBL20883161 0.83 MEN1 (0.44) MEN1KMT2ACHRM2
SCHEMBL5201772 0.83 MEN1 (0.57) MEN1KMT2A
SCHEMBL20883160 0.81 MEN1 (0.63) MEN1KMT2ACHRM2
SCHEMBL5235926 0.81 MAPK14 (0.69) MAPK14
SCHEMBL5203675 0.81 MEN1 (0.63) MEN1KMT2A
SCHEMBL5353806 0.80 MEN1 (0.60) MEN1KMT2ACHRM2MAPK14
SCHEMBL14444879 0.80 MAPK14 (0.58) MAPK14

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-1178983-B1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2007-10-24 EP claimed