SCHEMBL22838579

SCHEMBL22838579

CCNC(=O)c1c(O)c2c(n(Cc3ccc(C#N)cc3)c1=O)COCC2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 17/20 0.60
EGLN2 Q96KS0 13/20 0.60
EGLN3 Q9H6Z9 13/20 0.60
CYSLTR2 Q9NS75 1/20 0.49
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL17641374 0.90 EGLN1 (0.75) EGLN1EGLN2EGLN3CYSLTR2
SCHEMBL22838485 0.89 EGLN1 (0.64) EGLN1EGLN2EGLN3CYSLTR2ALDH1A1
SCHEMBL22838470 0.88 EGLN1 (0.55) EGLN1EGLN2EGLN3CYSLTR2ALDH1A1
SCHEMBL17643194 0.88 EGLN1 (0.71) EGLN1EGLN2EGLN3CYSLTR2
SCHEMBL22838408 0.87 EGLN1 (0.62) EGLN1EGLN2EGLN3CYSLTR2ALDH1A1
SCHEMBL22838670 0.84 EGLN1 (0.59) EGLN1EGLN2EGLN3CYSLTR2ALDH1A1
SCHEMBL17629628 0.83 EGLN1 (0.80) EGLN1EGLN2EGLN3CYSLTR2
SCHEMBL17633113 0.81 EGLN1 (0.79) EGLN1EGLN2EGLN3CYSLTR2
SCHEMBL22838662 0.81 EGLN1 (0.80) EGLN1EGLN2EGLN3CYSLTR2ALDH1A1
SCHEMBL22838500 0.81 EGLN1 (0.67) EGLN1EGLN2EGLN3CYSLTR2ALDH1A1

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
EP-3197455-B1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME (US) 2020-12-30 EP disclosed