SCHEMBL6544374

SCHEMBL6544374

CN(C(=O)OC(C)(C)C)c1cc(Oc2ccc(O)cc2)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ELANE P08246 1/20 0.36
LTA4H P09960 1/20 0.35
ESRRA P11474 1/20 0.34
MMP13 P45452 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
HDAC3 O15379 1/20 0.33
BRAF P15056 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL6544878 0.96 PARP10 (0.35) PARP10MEN1KMT2AESR1ESR2
SCHEMBL6543619 0.90 HDAC3 (0.39) PARP10ESR1ESR2MMP13HDAC3
SCHEMBL6544248 0.90 PARP10 (0.40) PARP10MEN1KMT2ALTA4HMMP13
SCHEMBL6543768 0.90 MMP13 (0.43) PARP10MEN1KMT2AMMP13KDM4E
SCHEMBL27804098 0.90 HSD17B1 (0.40) MMP13NR4A1
SCHEMBL6543998 0.86 MMP13 (0.39) MEN1KMT2ALTA4HMMP13HDAC3
SCHEMBL6543582 0.86 LIPE (0.39) MEN1KMT2ABRAF
SCHEMBL6544389 0.86 GHSR (0.36) ELANEMMP13NR4A1
SCHEMBL6543660 0.86 ESRRA (0.37) ESR1ESR2ESRRANR4A1
SCHEMBL6700998 0.86 HTR6 (0.36) MEN1KMT2AESR2PKM

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