SCHEMBL5364243

SCHEMBL5364243

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.47
FNTA P49354 3/20 0.32
FNTB P49356 3/20 0.32
EGLN2 Q96KS0 1/20 0.31
SLC34A1 Q06495 2/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
BRD4 O60885 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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 1.00 AR (0.47) ARFNTAFNTBEGLN2SLC34A1
SCHEMBL5381340 0.91 AR (0.48) ARFNTAFNTBEGLN2SLC34A1
SCHEMBL5361541 0.86 AR (0.51) ARFNTAFNTBEGLN2SLC34A1
SCHEMBL5370036 0.84 AR (0.49) ARFNTAFNTBEGLN2SLC34A1
SCHEMBL5359725 0.84 AR (0.48) AREGLN2SLC34A1LMNAALDH1A1
SCHEMBL5362977 0.83 AR (0.48) ARFNTAFNTBSLC34A1LMNA
SCHEMBL5377673 0.83 AR (0.48) ARFNTAFNTBEGLN2SLC34A1
SCHEMBL5364006 0.77 AR (0.52) ARFNTAFNTBEGLN2SLC34A1
SCHEMBL5358998 0.74 AR (0.54) ARFNTAFNTBEGLN2BRD4
SCHEMBL5360480 0.73 AR (0.42) ARFNTAFNTBEGLN2SLC34A1

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