SCHEMBL4741829

SCHEMBL4741829

CCCOc1cccc(-n2c(C3CCCCC3)nc(O)cc2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APLNR P35414 8/20 0.50
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOTUM Q6P988 1/20 0.37
EGFR P00533 1/20 0.37
BTK Q06187 1/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
BACE1 P56817 1/20 0.37
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4784797 0.89 APLNR (0.48) APLNRKDM4EALDH1A1KMT2AMEN1
SCHEMBL4741828 0.83 APLNR (0.44) APLNRKDM4EALDH1A1KMT2AMEN1
SCHEMBL4782896 0.83 KMT2A (0.44) APLNRKDM4EALDH1A1KMT2AMEN1
SCHEMBL4737525 0.79 KMT2A (0.54) APLNRKDM4EALDH1A1KMT2AMEN1
SCHEMBL4740213 0.79 KMT2A (0.42) APLNRKDM4EALDH1A1KMT2AMEN1
SCHEMBL4740765 0.76 EGLN1 (0.42) APLNREGFRBTK
SCHEMBL17317042 0.76 APLNR (0.51) APLNRKDM4EALDH1A1KMT2AMEN1
SCHEMBL4784791 0.74 APLNR (0.42) APLNRKDM4EALDH1A1KMT2AMEN1
SCHEMBL4739124 0.73 HPGD (0.43) APLNRKDM4EALDH1A1KMT2AMEN1
SCHEMBL4739975 0.72 KMT2A (0.38) APLNRKDM4EALDH1A1KMT2AMEN1

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-2008089051-A1 N-SUBSTITUTED GLYCINE DERIVATIVES: PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 WO disclosed