SCHEMBL5360480

SCHEMBL5360480

CCc1c(C(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)c(C)n1Cc1cc(C#N)[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.42
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
BRD4 O60885 1/20 0.34
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
SLC34A1 Q06495 2/20 0.33
EGLN2 Q96KS0 2/20 0.33
CHEK1 O14757 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL5370036 0.80 AR (0.49) ARBRD4FNTAFNTBSLC34A1
SCHEMBL5359896 0.79 AR (0.43) ARGRIA2GRIA4BRD4FNTA
SCHEMBL5361541 0.78 AR (0.51) ARBRD4FNTAFNTBSLC34A1
SCHEMBL5362977 0.77 AR (0.48) ARFNTAFNTBSLC34A1ALDH1A1
SCHEMBL5381340 0.75 AR (0.48) ARBRD4FNTAFNTBSLC34A1
SCHEMBL5359725 0.75 AR (0.48) ARBRD4SLC34A1EGLN2ALDH1A1
SCHEMBL5377673 0.75 AR (0.48) ARBRD4FNTAFNTBSLC34A1
SCHEMBL5365950 0.74 AR (0.44) ARGRIA2GRIA4BRD4FNTA
SCHEMBL5358998 0.74 AR (0.54) ARGRIA2GRIA4BRD4FNTA
SCHEMBL5364246 0.73 AR (0.47) ARBRD4FNTAFNTBSLC34A1

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