SCHEMBL5362977

SCHEMBL5362977

CCOC(=O)c1cc(Cn2c(C)c(C(=O)OC(C)(C)C)c(-c3ccc(C#N)cc3)c2C)[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.48
SLC34A1 Q06495 1/20 0.38
FNTA P49354 3/20 0.36
FNTB P49356 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35

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) ARSLC34A1FNTAFNTBALDH1A1
SCHEMBL5370036 0.86 AR (0.49) ARSLC34A1FNTAFNTBALDH1A1
SCHEMBL5381340 0.85 AR (0.48) ARSLC34A1FNTAFNTBALDH1A1
SCHEMBL5359725 0.85 AR (0.48) ARSLC34A1ALDH1A1LMNA
SCHEMBL5377673 0.84 AR (0.48) ARSLC34A1FNTAFNTBALDH1A1
SCHEMBL5364246 0.83 AR (0.47) ARSLC34A1FNTAFNTBALDH1A1
SCHEMBL5364243 0.83 AR (0.47) ARSLC34A1FNTAFNTBALDH1A1
SCHEMBL14347747 0.79 MAPT (0.39) ARSLC34A1FNTAFNTBSMN1; SMN2
SCHEMBL5365280 0.79 AR (0.44) ARSLC34A1FNTAFNTBSMN1; SMN2
SCHEMBL5364006 0.78 AR (0.52) ARSLC34A1FNTAFNTB

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