SCHEMBL3663307

SCHEMBL3663307

NCC(=O)OC(=O)c1c(O)ccc2nc(-c3ccccc3)cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TLR9 Q9NR96 1/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PARP1 P09874 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.37
IKBKB O14920 1/20 0.37
YES1 P07947 1/20 0.35
PIM1 P11309 1/20 0.35
MAPK1 P28482 1/20 0.35
HIPK1 Q86Z02 1/20 0.35
HPGD P15428 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
SCHEMBL3521287 0.80 ABL1 (0.45) ABL1RAB9ANPC1SMN1; SMN2TLR9
SCHEMBL3519887 0.74 EGLN3 (0.66) ABL1EGLN3ALDH1A1
SCHEMBL3518478 0.73 EGLN3 (0.50) ABL1RAB9ANPC1MAPTKMT2A
SCHEMBL3435784 0.72 ERN1 (0.44) MAPTSMN1; SMN2NFKB1PARP1HPGD
SCHEMBL27825159 0.70 KMT2A (0.46) RAB9ANPC1KMT2APARP1IKBKB
SCHEMBL3527577 0.70 TLR9 (0.43) RAB9ANPC1MAPTSMN1; SMN2TLR9
SCHEMBL27825157 0.69 PARP1 (0.45) MAPTPARP1IKBKBMAPK1HPGD
SCHEMBL3521893 0.69 SMN1; SMN2 (0.52) ABL1RAB9ANPC1MAPTKMT2A
SCHEMBL3518993 0.67 EGLN3 (0.60) ABL1EGLN3MAPK1
SCHEMBL3761711 0.67 EGLN3 (0.56) ABL1MAPTEGLN3MAPK1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227770-A2 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-15 EP disclosed
WO-2009073497-A2 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed