SCHEMBL5308604

SCHEMBL5308604

NC(=O)COc1cc(Cc2ccccc2)c2[nH]c(=O)c(C(=O)NCC(=O)O)c(O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RXFP1 Q9HBX9 1/20 0.43
EGLN1 Q9GZT9 6/20 0.42
THRA P10827 3/20 0.42
THRB P10828 3/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
HIF1A Q16665 5/20 0.40
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5309245 0.90 MEN1 (0.45) MEN1KMT2ARXFP1EGLN1THRA
SCHEMBL5308388 0.87 THRA (0.48) MEN1KMT2ARXFP1EGLN1THRA
SCHEMBL5312251 0.83 MEN1 (0.48) MEN1KMT2ARXFP1EGLN1NPC1
SCHEMBL5312400 0.81 MEN1 (0.48) MEN1KMT2ARXFP1EGLN1THRA
SCHEMBL5312539 0.79 MEN1 (0.46) MEN1KMT2ARXFP1EGLN1THRA
SCHEMBL5309396 0.76 EGLN1 (0.43) MEN1KMT2ARXFP1EGLN1NPC1
SCHEMBL15846440 0.75 HIF1A (0.49) MEN1KMT2ARXFP1EGLN1THRA
SCHEMBL5314833 0.74 MEN1 (0.49) MEN1KMT2ARXFP1EGLN1NPC1
SCHEMBL5313516 0.74 EGLN3 (0.43) MEN1KMT2ARXFP1EGLN1NPC1
SCHEMBL5306234 0.73 TDP1 (0.45) MEN1KMT2ARXFP1EGLN1NPC1

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-2007038571-A2 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 WO claimed