SCHEMBL15314775

SCHEMBL15314775

O=Nc1c(CNCC2CCCO2)ccn(Cc2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
PKM P14618 1/20 0.47
CCR5 P51681 1/20 0.46
MAOB P27338 1/20 0.45
HTR6 P50406 1/20 0.45
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
VEGFA P15692 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL272206 0.87 VEGFA (0.58) KMT2APKMCCR5KDM4EALDH1A1
SCHEMBL30402261 0.74 EGLN1 (0.64) KDM4ESMN1; SMN2LMNAVEGFAEGLN1
SCHEMBL17340661 0.73 VEGFA (0.57) L3MBTL1ALDH1A1VEGFAEGLN1
SCHEMBL23531478 0.73 KMT2A (0.70) KMT2APKMCCR5L3MBTL1ATM
SCHEMBL18541807 0.73 KMT2A (0.70) KMT2APKMCCR5L3MBTL1ATM
SCHEMBL28130536 0.73 KMT2A (0.70) KMT2APKMCCR5L3MBTL1ATM
SCHEMBL17340697 0.73 VEGFA (0.67) KDM4EATMALDH1A1SMN1; SMN2LMNA
SCHEMBL17340673 0.72 EGLN1 (0.71) KMT2ASMN1; SMN2MEN1VEGFAEGLN1
SCHEMBL15314777 0.71 CNR2 (0.42) KDM4EALDH1A1LMNAVEGFAEGLN1
SCHEMBL17340662 0.71 VEGFA (0.49) L3MBTL1ALDH1A1SMN1; SMN2VEGFAEGLN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2952192-A1 Prolyl hydroxylase inhibitors Aerpio Therapeutics Inc. (US) 2015-12-09 EP disclosed
EP-2649998-B1 Prolyl hydroxylase inhibitors AERPIO THERAPEUTICS INC (US) 2015-03-04 EP disclosed
EP-2649998-A1 Prolyl hydroxylase inhibitors Aerpio Therapeutics Inc. (US) 2013-10-16 EP disclosed