SCHEMBL6544248

SCHEMBL6544248

COc1ccc(Oc2ccc(N)c(N(C)C(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.40
RAF1 P04049 1/20 0.40
ARAF P10398 1/20 0.40
BRAF P15056 1/20 0.40
HDAC1 Q13547 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSP90AA1 P07900 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LTA4H P09960 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
RAB9A P51151 1/20 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
SCHEMBL1592717 0.92 ALDH1A1 (0.39) HSD17B1HSD17B2SMN1; SMN2MEN1KMT2A
SCHEMBL6543768 0.90 MMP13 (0.43) PARP10BRAFHDAC1SMN1; SMN2MEN1
SCHEMBL6544374 0.90 PARP10 (0.38) PARP10BRAFHDAC1MEN1KMT2A
SCHEMBL27804098 0.90 HSD17B1 (0.40) HSD17B1HSD17B2SMN1; SMN2ALDH1A1PTGS2
SCHEMBL27921269 0.88 AKR1C3 (0.33) RAF1ARAFBRAFHDAC1HSD17B1
SCHEMBL6543998 0.86 MMP13 (0.39) BRAFHDAC1MEN1KMT2ALTA4H
SCHEMBL6544389 0.86 GHSR (0.36) SMN1; SMN2ALDH1A1MMP13GHSR
SCHEMBL6544878 0.86 PARP10 (0.35) PARP10MEN1KMT2ALTA4HMMP13
SCHEMBL6543582 0.86 LIPE (0.39) BRAFMEN1KMT2AL3MBTL1RAB9A
SCHEMBL27939698 0.86 KMT2A (0.37) HSD17B1HSD17B2SMN1; SMN2MEN1KMT2A

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