SCHEMBL5381340

SCHEMBL5381340

Cc1c(C(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)c(C)n1Cc1cc(C=O)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.48
BRD4 O60885 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
CHEK1 O14757 1/20 0.32
SLC34A1 Q06495 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
FNTA P49354 2/20 0.31
FNTB P49356 2/20 0.31
CACNA1H O95180 1/20 0.31

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
SCHEMBL5364246 0.91 AR (0.47) ARBRD4EGLN2SLC34A1ALDH1A1
SCHEMBL5364243 0.91 AR (0.47) ARBRD4EGLN2SLC34A1ALDH1A1
SCHEMBL5361541 0.88 AR (0.51) ARBRD4EGLN2SLC34A1ALDH1A1
SCHEMBL5370036 0.87 AR (0.49) ARBRD4EGLN2SLC34A1ALDH1A1
SCHEMBL5359725 0.86 AR (0.48) ARBRD4EGLN2SLC34A1ALDH1A1
SCHEMBL5362977 0.85 AR (0.48) ARSLC34A1ALDH1A1LMNAFNTA
SCHEMBL5377673 0.85 AR (0.48) ARBRD4EGLN2SLC34A1ALDH1A1
SCHEMBL5364006 0.79 AR (0.52) ARBRD4EGLN2SLC34A1FNTA
SCHEMBL5358998 0.76 AR (0.54) ARBRD4EGLN2FNTAFNTB
SCHEMBL5360480 0.75 AR (0.42) ARBRD4EGLN2CHEK1SLC34A1

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