SCHEMBL14614722

SCHEMBL14614722

O=C(Nc1cccc(-c2nc3ccccc3[nH]2)n1)c1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOXO1 Q12778 3/20 0.54
▸ MMP2 P08253 2/20 0.53
▸ MMP9 P14780 2/20 0.53
▸ MMP8 P22894 2/20 0.53
▸ MMP13 P45452 2/20 0.53
▸ COMT P21964 1/20 0.53
▸ NPC1 O15118 6/20 0.51
▸ RAB9A P51151 6/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ RECQL P46063 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ HPSE Q9Y251 1/20 0.48
▸ CHEK1 O14757 2/20 0.48
▸ CDK1 P06493 1/20 0.48

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
SCHEMBL2624736 0.88 FOXO1 (0.70) FOXO1MMP2MMP9MMP8MMP13
SCHEMBL2740089 0.85 RAB9A (0.68) FOXO1MMP2MMP9MMP8MMP13
SCHEMBL2740088 0.82 NPC1 (0.67) FOXO1COMTNPC1RAB9AMEN1
SCHEMBL2624735 0.80 FOXO1 (0.57) FOXO1COMTNPC1RAB9AMEN1
SCHEMBL2740087 0.80 USP2 (0.67) FOXO1COMTNPC1RAB9AMEN1
SCHEMBL2739951 0.72 NPC1 (0.61) FOXO1NPC1RAB9AMEN1KMT2A
SCHEMBL17705602 0.72 MMP2 (0.80) MMP2MMP9MMP8MMP13COMT
SCHEMBL22488975 0.71 NPC1 (0.65) FOXO1MMP2MMP9MMP8MMP13
SCHEMBL1202049 0.71 NPC1 (0.60) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL22489134 0.71 FOXO1 (0.58) FOXO1NPC1RAB9AMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 — — WO disclosed
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