SCHEMBL20171252

SCHEMBL20171252

C=C(CNC(=O)c1cc(-c2ccc(Cl)cc2)ccn1)N=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.49
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
MMP13 P45452 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EGLN3 Q9H6Z9 1/20 0.42
MET P08581 1/20 0.41
MAP4K4 O95819 1/20 0.40
KMO O15229 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
CTSA P10619 1/20 0.38
TSHR P16473 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
SCHEMBL14319657 0.86 EGLN1 (0.56) EGLN1PSEN1PSEN2APH1BNCSTN
SCHEMBL1921935 0.83 EGLN1 (0.70) EGLN1PSEN1PSEN2APH1BNCSTN
SCHEMBL1921244 0.80 EGLN1 (0.61) EGLN1PSEN1PSEN2APH1BNCSTN
SCHEMBL25003152 0.77 MAP4K4 (0.52) EGLN1PSEN1PSEN2APH1BNCSTN
SCHEMBL4371717 0.77 EGLN1 (0.61) EGLN1EGLN3CTSACNR1
SCHEMBL14882746 0.75 KDM4D (0.52) EGLN1PSEN1PSEN2APH1BNCSTN
SCHEMBL24405095 0.74 PSEN1 (0.36) EGLN1PSEN1PSEN2APH1BNCSTN
SCHEMBL18135104 0.74 GAA (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31301463 0.74 MET (0.62) METCNR1
SCHEMBL14308515 0.73 EGLN1 (0.51) EGLN1MMP13EGLN3KMOCTSA

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-3357911-A1 PROLYL HYDROXYLASE INHIBITORS AND METHODS OF USE Akebia Therapeutics Inc. (US) 2018-08-08 EP disclosed
EP-3323807-A1 PROLYL HYDROXYLASE INHIBITORS AND METHODS OF USE Akebia Therapeutics, Inc. (US) 2018-05-23 EP disclosed