SCHEMBL5377673

SCHEMBL5377673

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.48
SLC34A1 Q06495 2/20 0.33
EGLN2 Q96KS0 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KDM5A P29375 1/20 0.32
BRD4 O60885 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
SCHEMBL5361541 0.88 AR (0.51) ARSLC34A1EGLN2FNTAFNTB
SCHEMBL5370036 0.86 AR (0.49) ARSLC34A1EGLN2FNTAFNTB
SCHEMBL5381340 0.85 AR (0.48) ARSLC34A1EGLN2FNTAFNTB
SCHEMBL5359725 0.85 AR (0.48) ARSLC34A1EGLN2ALDH1A1LMNA
SCHEMBL5362977 0.84 AR (0.48) ARSLC34A1FNTAFNTBALDH1A1
SCHEMBL5364246 0.83 AR (0.47) ARSLC34A1EGLN2FNTAFNTB
SCHEMBL5364243 0.83 AR (0.47) ARSLC34A1EGLN2FNTAFNTB
SCHEMBL5364006 0.78 AR (0.52) ARSLC34A1EGLN2FNTAFNTB
SCHEMBL5368138 0.76 CYP11B2 (0.38) ARALDH1A1LMNAKDM5A
SCHEMBL5358998 0.75 AR (0.54) AREGLN2FNTAFNTBBRD4

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