SCHEMBL6544878

SCHEMBL6544878

CN(C(=O)OC(C)(C)C)c1cc(Oc2ccc(-c3ccc(O)cc3)cc2)ccc1N

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.35
GFER P55789 1/20 0.34
ESR2 Q92731 3/20 0.33
ELANE P08246 1/20 0.33
PAX8 Q06710 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR1 P03372 1/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 1/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
LTA4H P09960 1/20 0.33
MMP13 P45452 1/20 0.32
ESRRA P11474 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL6544374 0.96 PARP10 (0.38) PARP10ESR2ELANEMEN1KMT2A
SCHEMBL6543998 0.91 MMP13 (0.39) PAX8MEN1KMT2ALTA4HMMP13
SCHEMBL6543619 0.87 HDAC3 (0.39) PARP10ESR2ESR1MMP13
SCHEMBL6544248 0.86 PARP10 (0.40) PARP10MEN1KMT2ALTA4HMMP13
SCHEMBL6543768 0.86 MMP13 (0.43) PARP10MEN1KMT2AMMP13
SCHEMBL27804098 0.86 HSD17B1 (0.40) MMP13
SCHEMBL6544573 0.84 FFAR1 (0.40) MMP13
SCHEMBL6544389 0.83 GHSR (0.36) ELANEMMP13
SCHEMBL6543660 0.83 ESRRA (0.37) ESR2ESR1ABL1ESRRA
SCHEMBL6543582 0.83 LIPE (0.39) MEN1KMT2A

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