SCHEMBL5359929

SCHEMBL5359929

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.45
FNTA P49354 6/20 0.41
FNTB P49356 6/20 0.41
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL5365280 0.91 AR (0.44) ARFNTAFNTBMAPTTDP1
SCHEMBL5363993 0.81 AR (0.46) ARFNTAFNTBMAPTKDM4E
SCHEMBL5360255 0.72 CYP3A4 (0.38) MAPTTDP1KDM4EGAASMN1; SMN2
SCHEMBL5359872 0.72 CYP3A4 (0.38) MAPTTDP1KDM4EGAASMN1; SMN2
SCHEMBL5359879 0.72 AR (0.52) ARFNTAFNTBMAPTTDP1
SCHEMBL5362481 0.70 AR (0.52) ARFNTAFNTBMAPTKDM4E
SCHEMBL5357482 0.69 CYP3A4 (0.40) MAPTKDM4EGAASMN1; SMN2
SCHEMBL4919701 0.69 AR (0.59) ARFNTAFNTBMAPTTDP1
SCHEMBL4911697 0.69 AR (0.67) ARFNTAFNTBMAPTTDP1
SCHEMBL5362977 0.68 AR (0.48) ARFNTAFNTBMAPTTDP1

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