SCHEMBL5365280

SCHEMBL5365280

CCOC(=O)c1cc(Cn2c(C)c(C(=O)OC(C)(C)C)c(-c3ccc(C#N)cc3)c2C)n(COC(=O)C(C)(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.44
FNTA P49354 3/20 0.36
FNTB P49356 3/20 0.36
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
SLC34A1 Q06495 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL5359929 0.91 AR (0.45) ARFNTAFNTBMAPTTDP1
SCHEMBL5362977 0.79 AR (0.48) ARFNTAFNTBMAPTTDP1
SCHEMBL5363993 0.73 AR (0.46) ARFNTAFNTBMAPTKDM4E
SCHEMBL5370036 0.72 AR (0.49) ARFNTAFNTBALDH1A1LMNA
SCHEMBL5358998 0.72 AR (0.54) ARFNTAFNTB
SCHEMBL5361541 0.71 AR (0.51) ARFNTAFNTBMAPTALDH1A1
SCHEMBL5364006 0.71 AR (0.52) ARFNTAFNTBSLC34A1
SCHEMBL5359725 0.69 AR (0.48) ARALDH1A1LMNASLC34A1
SCHEMBL5381340 0.69 AR (0.48) ARFNTAFNTBALDH1A1LMNA
SCHEMBL5359872 0.69 CYP3A4 (0.38) MAPTTDP1KDM4EGAASMN1; SMN2

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
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed