SCHEMBL5339907

SCHEMBL5339907

C=CC(=O)NCc1cccc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.40
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
PKM P14618 4/20 0.37
SETDB1 Q15047 1/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
HTT P42858 2/20 0.35
USP2 O75604 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HIF1A Q16665 1/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
FYN P06241 1/20 0.34
SRC P12931 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL9408922 0.85 SETDB1 (0.39) KMT2ASETDB1ALDH1A1LMNASMN1; SMN2
SCHEMBL6530775 0.84 NPC1 (0.51) TGM2KMT2AMEN1SETDB1MAPT
SCHEMBL9408804 0.82 SETDB1 (0.36) SETDB1MAPTHTTALDH1A1LMNA
SCHEMBL11396584 0.82 RAB9A (0.38) TGM2KMT2AMEN1MAPTUSP2
SCHEMBL6530701 0.82 PTPN1 (0.39) TGM2KMT2AMEN1ALDH1A1LMNA
SCHEMBL346033 0.81 SETDB1 (0.40) KMT2AMEN1PKMSETDB1MAPT
SCHEMBL11401422 0.81 NPC1 (0.38) TGM2KMT2AMEN1MAPTUSP2
SCHEMBL9408880 0.81 SETDB1 (0.36) SETDB1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL5679060 0.78 NPC1 (0.35) TGM2KMT2AMEN1MAPTUSP2
SCHEMBL1264757 0.77 GABRA1 (0.51) KMT2AMEN1PKMMAPTNPSR1

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
US-8899745-B2 Ophthalmic lenses modified with functional groups and methods of making thereof NOVARTIS AG (CH) 2014-12-02 US disclosed
JP-2007204593-A ORGANIC DYE USING BENZOTRIAZOLE DERIVATIVE SHIPRO KASEI KAISHA LTD 2007-08-16 JP disclosed