SCHEMBL6544389

SCHEMBL6544389

CSc1ccc(Oc2ccc(N)c(N(C)C(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.36
SLC6A4 P31645 9/20 0.36
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 3/20 0.33
MMP13 P45452 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
NR4A1 P22736 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 1/20 0.31
ELANE P08246 1/20 0.31
HPGD P15428 1/20 0.31
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL6698787 0.87 AAK1 (0.33) GPR119HPGDAAK1
SCHEMBL6544248 0.86 PARP10 (0.40) GHSRMMP13ALDH1A1SMN1; SMN2
SCHEMBL27804098 0.86 HSD17B1 (0.40) MMP13NR4A1ALDH1A1SMN1; SMN2
SCHEMBL6543768 0.86 MMP13 (0.43) MMP13ALDH1A1SMN1; SMN2
SCHEMBL6544374 0.86 PARP10 (0.38) MMP13NR4A1ELANE
SCHEMBL6543998 0.83 MMP13 (0.39) MMP13
SCHEMBL6543582 0.83 LIPE (0.39) GHSR
SCHEMBL6544878 0.83 PARP10 (0.35) MMP13ELANE
SCHEMBL27939698 0.83 KMT2A (0.37) SLC6A4HTR2AMMP13NR4A1ALDH1A1
SCHEMBL6543619 0.82 HDAC3 (0.39) MMP13HPGD

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