SCHEMBL4872269

SCHEMBL4872269

NCCCN1CC(=O)N(Cc2ccccc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 5/20 0.54
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ USP2 O75604 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ F2 P00734 1/20 0.47
▸ PLG P00747 1/20 0.47
▸ ELANE P08246 1/20 0.47
▸ CTSG P08311 1/20 0.47
▸ CMA1 P23946 1/20 0.47
▸ CTRC Q99895 1/20 0.47
▸ GSK3A P49840 4/20 0.43
▸ GSK3B P49841 4/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ MGLL Q99685 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40

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
SCHEMBL4872435 0.88 KMT2A (0.52) HDAC6KMT2AMEN1POLBUSP2
SCHEMBL10976738 0.85 MEN1 (0.56) HDAC6KMT2AMEN1POLBUSP2
SCHEMBL27952145 0.85 HDAC6 (0.54) HDAC6KMT2AMEN1POLBUSP2
SCHEMBL10979108 0.85 HDAC6 (0.54) HDAC6KMT2AMEN1POLBUSP2
SCHEMBL10979205 0.84 HDAC6 (0.56) HDAC6KMT2AMEN1POLBUSP2
SCHEMBL16081239 0.83 SIGMAR1 (0.45) HDAC6KMT2AMEN1POLBUSP2
SCHEMBL16081233 0.83 SIGMAR1 (0.45) HDAC6KMT2AMEN1POLBUSP2
SCHEMBL10978069 0.83 MEN1 (0.57) HDAC6KMT2AMEN1POLBUSP2
SCHEMBL10983050 0.83 MEN1 (0.57) HDAC6KMT2AMEN1POLBUSP2
SCHEMBL4955033 0.82 HDAC6 (0.69) HDAC6KMT2AMEN1POLBUSP2

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-7470703-B1 Yohimbine derivatives and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2008-12-30 — — US disclosed
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