SCHEMBL28439104

SCHEMBL28439104

O=C(O)CNC(=O)c1cnc(NC(=O)c2ccc(OCc3ccccc3)cc2)nc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.53
▸ ITGA2B P08514 1/20 0.53
▸ RAB9A P51151 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ CASP3 P42574 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ NR4A1 P22736 1/20 0.47
▸ NR4A2 P43354 1/20 0.47
▸ NR4A3 Q92570 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.47
▸ SPHK2 Q9NRA0 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ PARP10 Q53GL7 1/20 0.45

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
SCHEMBL30345412 1.00 ITGB3 (0.53) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL28442664 0.89 EGLN1 (0.50) RAB9ANPC1CASP3SENP7MEN1
SCHEMBL30345507 0.89 EGLN1 (0.50) RAB9ANPC1CASP3SENP7MEN1
SCHEMBL30345425 0.85 KDM4E (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL28445193 0.85 KDM4E (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL28441539 0.85 DGAT1 (0.49) RAB9ANPC1MEN1KMT2AHDAC1
SCHEMBL28452694 0.82 EGLN1 (0.47) RAB9ANPC1SMN1; SMN2KMT2ARXFP1
SCHEMBL30345442 0.82 EGLN1 (0.47) RAB9ANPC1SMN1; SMN2KMT2ARXFP1
SCHEMBL1222408 0.80 ITGB3 (0.73) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL28449008 0.78 EGLN1 (0.48) —

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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