SCHEMBL1306509

SCHEMBL1306509

COC(=O)c1ccc(/C=C(\COc2cccc3ccccc23)C(=O)NCc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ADAMTS5 Q9UNA0 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HDAC3 O15379 1/20 0.39

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
SCHEMBL1305762 0.92 MEN1 (0.45) KMT2AL3MBTL1ALDH1A1MEN1TDP1
SCHEMBL1305765 0.92 MEN1 (0.45) KMT2AL3MBTL1ALDH1A1MEN1TDP1
SCHEMBL1305858 0.90 HDAC6 (0.47) KMT2AL3MBTL1HTTALDH1A1MEN1
SCHEMBL1305856 0.90 HDAC6 (0.47) KMT2AL3MBTL1HTTALDH1A1MEN1
SCHEMBL1306510 0.84 TRPM4 (0.41) KMT2AL3MBTL1ALDH1A1MEN1TDP1
SCHEMBL27784527 0.84 LMNA (0.48) KMT2AHTTALDH1A1MEN1TDP1
SCHEMBL27784529 0.84 LMNA (0.48) KMT2AHTTALDH1A1MEN1TDP1
SCHEMBL1306801 0.82 KDM4E (0.47) KMT2AALDH1A1MEN1TDP1SMN1; SMN2
SCHEMBL1306243 0.82 HPGD (0.55) L3MBTL1HTTALDH1A1TDP1USP2
SCHEMBL1307207 0.82 LMNA (0.43) HTTALDH1A1TDP1SMN1; SMN2KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 — — US disclosed
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