SCHEMBL6543585

SCHEMBL6543585

CN(C(=O)OC(C)(C)C)c1cc(Oc2ccccc2N2CCCC2)ccc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GFER P55789 2/20 0.36
KMT2A Q03164 4/20 0.36
SLC6A4 P31645 4/20 0.36
ALDH1A1 P00352 3/20 0.36
USP2 O75604 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.36
DRD2 P14416 1/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.35
HTR1A P08908 3/20 0.35

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
SCHEMBL6544191 0.99 GAA (0.39) GAAHTTMAPTKDM4EGFER
SCHEMBL6543989 0.91 POLB (0.41) GAAMAPTKMT2AALDH1A1TSHR
SCHEMBL6543578 0.84 KMT2A (0.41) GAAHTTMAPTKDM4EKMT2A
SCHEMBL6544949 0.84 ALDH1A1 (0.41) HTTMAPTKDM4EGFERKMT2A
SCHEMBL6543795 0.83 AR (0.36) GAAKMT2AALDH1A1NPSR1MEN1
SCHEMBL27782470 0.83 HPGD (0.39) GAAALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL6543768 0.80 MMP13 (0.43) KDM4EKMT2AALDH1A1LMNANPSR1
SCHEMBL6544387 0.80 NCOA1 (0.44) KDM4EALDH1A1
SCHEMBL6543998 0.77 MMP13 (0.39) MAPTKMT2ALMNANPSR1MEN1
SCHEMBL28786462 0.77 CARM1 (0.37) SLC6A4SLC6A2SLC6A3

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
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed