SCHEMBL6544191

SCHEMBL6544191

CN(C(=O)OC(C)(C)C)c1cc(Oc2ccccc2N2CCCCC2)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 4/20 0.38
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 5/20 0.37
USP2 O75604 3/20 0.37
MAPK1 P28482 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
KEAP1 Q14145 1/20 0.36
GFER P55789 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 2/20 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
SCHEMBL6543585 0.99 GAA (0.37) GAAHTTKDM4EMAPTNPSR1
SCHEMBL6543989 0.90 POLB (0.41) GAAMAPTNPSR1ALDH1A1TSHR
SCHEMBL6544949 0.85 ALDH1A1 (0.41) HTTKDM4EMAPTNPSR1MAPK1
SCHEMBL6543578 0.83 KMT2A (0.41) GAAHTTKDM4EMAPTNPSR1
SCHEMBL27782470 0.82 HPGD (0.39) GAAALDH1A1HPGDSMN1; SMN2
SCHEMBL6543795 0.82 AR (0.36) GAANPSR1ALDH1A1RAB9AKMT2A
SCHEMBL6543768 0.79 MMP13 (0.43) KDM4ENPSR1ALDH1A1NPC1RAB9A
SCHEMBL6544387 0.79 NCOA1 (0.44) KDM4EALDH1A1SMN1; SMN2
SCHEMBL6543998 0.76 MMP13 (0.39) MAPTNPSR1NPC1RAB9AKMT2A
SCHEMBL28786462 0.76 CARM1 (0.37) SLC6A4

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