SCHEMBL4358358

SCHEMBL4358358

CCCc1nn(Cc2ccc(C(F)(F)F)cc2F)c(=O)c(C(=O)NCC(=O)O)c1O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 10/20 0.45
EGLN1 Q9GZT9 12/20 0.44
EGLN2 Q96KS0 9/20 0.44
PTGER4 P35408 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.41
AKR1B1 P15121 2/20 0.40
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4364439 0.93 EGLN3 (0.46) EGLN3EGLN1EGLN2CYSLTR2PTGDR2
SCHEMBL16857372 0.88 EGLN3 (0.48) EGLN3EGLN1EGLN2PTGDR2AKR1B1
SCHEMBL4373002 0.88 AKR1B1 (0.55) EGLN3EGLN1EGLN2PTGDR2AKR1B1
SCHEMBL4355029 0.86 EGLN1 (0.47) EGLN3EGLN1EGLN2PTGDR2AKR1B1
SCHEMBL3847949 0.85 EGLN3 (0.45) EGLN3EGLN1EGLN2PTGER4CYSLTR2
SCHEMBL4359258 0.84 EGLN3 (0.47) EGLN3EGLN1EGLN2CYSLTR2PTGDR2
SCHEMBL4365361 0.84 EGLN3 (0.42) EGLN3EGLN1EGLN2PTGDR2AKR1B1
SCHEMBL4359892 0.84 EGLN3 (0.59) EGLN3EGLN1EGLN2PTGER4CYSLTR2
SCHEMBL4362515 0.83 EGLN3 (0.41) EGLN3EGLN1EGLN2PTGDR2AKR1B1
SCHEMBL4360629 0.83 AKR1B1 (0.40) PTGER4PTGDR2AKR1B1MEN1CYP1A2

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-2124565-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS Smithkline Beecham Corporation (US) 2009-12-02 EP claimed
WO-2008089052-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 WO claimed
EP-2889289-A1 Pyridazine-dione N-substituted glycine derivatives as HIF hydroxylase inhibitors GlaxoSmithKline LLC (US) 2015-07-01 EP disclosed