SCHEMBL28448361

SCHEMBL28448361

O=C(O)CNC(=O)c1cnc(NCc2ccc(Cl)cc2)nc1O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ VNN1 O95497 3/20 0.48
▸ EGLN1 Q9GZT9 5/20 0.47
▸ EGLN3 Q9H6Z9 1/20 0.46
▸ CNR2 P34972 2/20 0.45
▸ ATM Q13315 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ AKR1B1 P15121 1/20 0.42
▸ NR3C1 P04150 1/20 0.42
▸ TYRO3 Q06418 1/20 0.42

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
SCHEMBL30345395 1.00 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL30345445 0.87 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6EGLN1
SCHEMBL28446135 0.87 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6EGLN1
SCHEMBL11089737 0.85 VNN1 (0.55) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL28897243 0.84 EGLN1 (0.50) EGLN1
SCHEMBL30345304 0.84 EGLN1 (0.50) EGLN1
SCHEMBL28452694 0.83 EGLN1 (0.47) EGLN1EGLN3LMNA
SCHEMBL30345442 0.83 EGLN1 (0.47) EGLN1EGLN3LMNA
SCHEMBL28442587 0.81 EGLN1 (0.64) EGLN1EGLN3
SCHEMBL30345459 0.81 EGLN1 (0.64) EGLN1EGLN3

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
CN-111559982-A 2- (2-substituted-4-hydroxypyrimidine-5-formamido) acetic acid compound and preparation method and application thereof 天津市医药科学研究所 2020-08-21 — — CN claimed
CN-111559982-B 2- (2-substituted-4-hydroxypyrimidine-5-formamido) acetic acid compound and preparation method and application thereof 天津市医药科学研究所 2023-04-07 — — CN disclosed
CN-111559982-A 2- (2-substituted-4-hydroxypyrimidine-5-formamido) acetic acid compound and preparation method and application thereof 天津市医药科学研究所 2020-08-21 — — CN disclosed
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