SCHEMBL28441539

SCHEMBL28441539

O=C(O)CNC(=O)c1cnc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.49
▸ EGLN1 Q9GZT9 8/20 0.47
▸ DEGS1 O15121 2/20 0.46
▸ EGLN3 Q9H6Z9 2/20 0.45
▸ PPARG P37231 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ FTO Q9C0B1 2/20 0.43
▸ KDM5B Q9UGL1 1/20 0.43
▸ KDM2A Q9Y2K7 1/20 0.43
▸ KCNQ3 O43525 1/20 0.43
▸ KCNQ2 O43526 1/20 0.43
▸ PDCD1 Q15116 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.42
▸ HDAC1 Q13547 2/20 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
SCHEMBL28442664 0.88 EGLN1 (0.50) EGLN1MEN1NPC1RAB9AKMT2A
SCHEMBL30345507 0.88 EGLN1 (0.50) EGLN1MEN1NPC1RAB9AKMT2A
SCHEMBL30345442 0.87 EGLN1 (0.47) EGLN1DEGS1EGLN3NPC1RAB9A
SCHEMBL28452694 0.87 EGLN1 (0.47) EGLN1DEGS1EGLN3NPC1RAB9A
SCHEMBL30345412 0.85 ITGB3 (0.53) MEN1NPC1RAB9AKMT2AHDAC1
SCHEMBL28439104 0.85 ITGB3 (0.53) MEN1NPC1RAB9AKMT2AHDAC1
SCHEMBL28445193 0.84 KDM4E (0.48) EGLN1DEGS1MEN1NPC1RAB9A
SCHEMBL30345425 0.84 KDM4E (0.48) EGLN1DEGS1MEN1NPC1RAB9A
SCHEMBL28446135 0.84 HDAC3 (0.53) EGLN1EGLN3RAB9AFTOKDM5B
SCHEMBL30345445 0.84 HDAC3 (0.53) EGLN1EGLN3RAB9AFTOKDM5B

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
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-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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