SCHEMBL5359879

SCHEMBL5359879

CCOC(=O)c1cc(Cn2c(C)c(C#N)c(-c3ccc(C#N)cc3)c2C)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.52
FNTA P49354 4/20 0.44
FNTB P49356 4/20 0.44
ALPL P05186 2/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGDS O60760 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC34A1 Q06495 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL5373726 0.88 AR (0.61) ARFNTAFNTBALPL
SCHEMBL14347697 0.81 AR (0.53) ARFNTAFNTBALPL
SCHEMBL5362087 0.81 AR (0.60) AR
SCHEMBL5359277 0.79 AR (0.61) ARFNTAFNTB
SCHEMBL5362232 0.77 AR (0.61) ARFNTAFNTB
SCHEMBL5937220 0.77 ALPL (0.70) ALPLMAPTNPC1RAB9AL3MBTL1
SCHEMBL5362481 0.76 AR (0.52) ARFNTAFNTBMAPTLMNA
SCHEMBL5361524 0.76 AR (0.54) AR
SCHEMBL4919701 0.75 AR (0.59) ARFNTAFNTBMAPTTDP1
SCHEMBL4911697 0.75 AR (0.67) 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