SCHEMBL4065069

SCHEMBL4065069

CC(C)CCn1c(=O)c(C(=O)NCC(=O)O)c(O)n2nccc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 12/20 0.41
EGLN3 Q9H6Z9 5/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
HIF1A Q16665 4/20 0.39
EGLN2 Q96KS0 3/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 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
SCHEMBL4064531 0.81 EGLN3 (0.61) EGLN1EGLN3EGLN2
SCHEMBL3420428 0.79 EGLN3 (0.46) EGLN1EGLN3MEN1KMT2ANPC1
SCHEMBL2086548 0.77 HTR3E (0.51) EGLN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL8244097 0.74 EGLN1 (0.69) EGLN1MEN1KMT2ANPC1KDM4E
SCHEMBL4991904 0.71 EGLN3 (0.41) EGLN1EGLN3MEN1KMT2ANPC1
SCHEMBL8248071 0.71 HIF1A (0.56) EGLN1EGLN3MEN1KMT2ANPC1
SCHEMBL5311256 0.69 KDM4E (0.46) EGLN1MEN1KMT2ANPC1HIF1A
SCHEMBL3422969 0.68 EGLN3 (0.47) EGLN1EGLN3MEN1KMT2AHIF1A
SCHEMBL4075882 0.68 EGLN1 (0.48) EGLN1EGLN3EGLN2
SCHEMBL1585746 0.68 EGLN1 (0.46) EGLN1EGLN3HIF1AEGLN2

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
WO-2009039323-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-26 WO claimed
WO-2009039323-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-26 WO disclosed
WO-2009039323-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-26 WO disclosed