SCHEMBL30345425

SCHEMBL30345425

COc1ccc(C(=O)Nc2ncc(C(=O)NCC(=O)O)c(O)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CDKN1A P38936 1/20 0.47
▸ EGLN1 Q9GZT9 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ DEGS1 O15121 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CSNK2A2 P19784 2/20 0.43
▸ CSNK2A1 P68400 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALOX15 P16050 1/20 0.43

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
SCHEMBL28445193 1.00 KDM4E (0.48) KDM4EALDH1A1MAPTMEN1RECQL
SCHEMBL28442664 0.88 EGLN1 (0.50) MEN1RECQLKMT2AEGLN1NPC1
SCHEMBL30345507 0.88 EGLN1 (0.50) MEN1RECQLKMT2AEGLN1NPC1
SCHEMBL28439104 0.85 ITGB3 (0.53) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL30345412 0.85 ITGB3 (0.53) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL28452694 0.85 EGLN1 (0.47) KDM4EALDH1A1MAPTKMT2AEGLN1
SCHEMBL30345442 0.85 EGLN1 (0.47) KDM4EALDH1A1MAPTKMT2AEGLN1
SCHEMBL28441539 0.84 DGAT1 (0.49) MEN1KMT2AEGLN1DEGS1NPC1
SCHEMBL28442506 0.83 EGLN1 (0.66) KDM4EALDH1A1MEN1KMT2AEGLN1
SCHEMBL30345405 0.83 EGLN1 (0.66) KDM4EALDH1A1MEN1KMT2AEGLN1

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-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 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
Send feedback