SCHEMBL16179844

SCHEMBL16179844

O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(NC(=O)c2ccco2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 3/20 1.00
▸ KMT2A Q03164 8/20 0.67
▸ MEN1 O00255 7/20 0.67
▸ SIRT3 Q9NTG7 1/20 0.67
▸ PKM P14618 1/20 0.67
▸ ALDH1A1 P00352 6/20 0.64
▸ MAPT P10636 4/20 0.64
▸ KDM4E B2RXH2 3/20 0.64
▸ HPGD P15428 3/20 0.64
▸ RAB9A P51151 3/20 0.64
▸ GAA P10253 2/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ KCNK3 O14649 1/20 0.62
▸ KCNK9 Q9NPC2 1/20 0.62
▸ APOBEC3G Q9HC16 1/20 0.62
▸ POLB P06746 3/20 0.62
▸ CYP1A2 P05177 1/20 0.60

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
SCHEMBL16179842 0.90 KMT2A (0.83) SIRT6KMT2AMEN1SIRT3PKM
SCHEMBL16179518 0.90 SIRT6 (1.00) SIRT6KMT2AMEN1SIRT3ALDH1A1
SCHEMBL30772317 0.84 KMT2A (0.87) SIRT6KMT2AMEN1PKMALDH1A1
SCHEMBL27296254 0.84 KMT2A (0.87) SIRT6KMT2AMEN1PKMALDH1A1
SCHEMBL13219807 0.81 MAPT (0.80) SIRT6KMT2AMEN1SIRT3PKM
Benzoylpas SCHEMBL563122 0.81 KMT2A (1.00) SIRT6KMT2AMEN1PKMMAPT
SCHEMBL15056399 0.81 RAB9A (0.75) SIRT6KMT2AMEN1PKMALDH1A1
SCHEMBL29564094 0.81 MEN1 (1.00) SIRT6KMT2AMEN1SIRT3ALDH1A1
SCHEMBL16179714 0.81 MEN1 (1.00) SIRT6KMT2AMEN1SIRT3ALDH1A1
Benzoylpas SCHEMBL9770542 0.80 KMT2A (0.97) SIRT6KMT2AMEN1PKMMAPT

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
WO-2014170873-A1 COMPOUNDS WITH A SIRTUIN INHIBITING ACTIVITY UNIVERSITÀ DEGLI STUDI DI GENOVA (IT) 2014-10-23 — — WO claimed
WO-2014170873-A1 COMPOUNDS WITH A SIRTUIN INHIBITING ACTIVITY UNIVERSITÀ DEGLI STUDI DI GENOVA (IT) 2014-10-23 — — WO disclosed
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