SCHEMBL5201583

SCHEMBL5201583

O=C(O)C(=O)c1c[nH]c2ccc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)cc12

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HTT P42858 1/20 0.53
MAPK14 Q16539 1/20 0.53
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL14185129 0.91 MAPK14 (0.65) HDAC1HDAC6HTTMAPK14KDM4E
SCHEMBL5202728 0.84 MAPK14 (0.59) MAPK14
SCHEMBL6772793 0.80 ACHE (0.54) HDAC1HDAC6
SCHEMBL6775597 0.78 MEN1 (0.53) HTTMAPK14KDM4E
SCHEMBL8445048 0.78 MAPK14 (0.82) HDAC1HDAC6HTTMAPK14
Fluorobenzene SCHEMBL27488084 0.77 KDM4E (0.52) HDAC1HDAC6HTTMAPK14KDM4E
SCHEMBL14357711 0.77 MAPK14 (0.59) MAPK14
SCHEMBL14185140 0.76 MAPK14 (0.52) HDAC1HDAC6MAPK14
SCHEMBL5203675 0.75 MEN1 (0.63) HTT
SCHEMBL5203909 0.74 MAPK14 (0.61) 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