SCHEMBL5310233

SCHEMBL5310233

COc1cccc(Cc2ccc3c(O)c(C(=O)NCC(=O)O)c(=O)[nH]c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.52
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ACHE P22303 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
POLB P06746 1/20 0.44
MMP13 P45452 1/20 0.43

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
SCHEMBL5309948 0.89 MEN1 (0.61) MEN1KMT2ARXFP1TDP1NPC1
SCHEMBL5305542 0.87 MEN1 (0.54) MEN1KMT2ARXFP1TDP1NPC1
SCHEMBL15845971 0.87 HIF1A (0.54) HIF1AMEN1KMT2ARXFP1TDP1
SCHEMBL5309416 0.85 MEN1 (0.52) MEN1KMT2ARXFP1TDP1NPC1
SCHEMBL5308927 0.85 MEN1 (0.52) MEN1KMT2ARXFP1TDP1NPC1
SCHEMBL5308372 0.83 MEN1 (0.50) MEN1KMT2ARXFP1TDP1NPC1
SCHEMBL5308968 0.83 MEN1 (0.49) MEN1KMT2ARXFP1NPC1PKM
SCHEMBL15846311 0.82 MEN1 (0.50) HIF1AMEN1KMT2ARXFP1TDP1
SCHEMBL5308388 0.78 THRA (0.48) HIF1AMEN1KMT2ARXFP1NPC1
SCHEMBL5311312 0.78 KMT2A (0.51) MEN1KMT2ARXFP1NPC1PKM

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