SCHEMBL13987064

SCHEMBL13987064

CNCCCN1CC(=O)N(Cc2ccccc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.54
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ F2 P00734 1/20 0.44
▸ PLG P00747 1/20 0.44
▸ ELANE P08246 1/20 0.44
▸ CTSG P08311 1/20 0.44
▸ CMA1 P23946 1/20 0.44
▸ CTRC Q99895 1/20 0.44
▸ LIPG Q9Y5X9 1/20 0.43
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL13987067 0.89 HDAC6 (0.52) HDAC6MEN1KMT2AKDM4EUSP2
SCHEMBL27952145 0.85 HDAC6 (0.54) HDAC6MEN1KMT2AKDM4EUSP2
SCHEMBL10979108 0.82 HDAC6 (0.54) HDAC6MEN1KMT2AKDM4EUSP2
SCHEMBL10976738 0.82 MEN1 (0.56) HDAC6MEN1KMT2AKDM4EUSP2
SCHEMBL4872269 0.82 HDAC6 (0.54) HDAC6MEN1KMT2AKDM4EUSP2
SCHEMBL10979205 0.81 HDAC6 (0.56) HDAC6MEN1KMT2AKDM4EUSP2
SCHEMBL10983050 0.80 MEN1 (0.57) HDAC6MEN1KMT2AKDM4EUSP2
SCHEMBL10978069 0.80 MEN1 (0.57) HDAC6MEN1KMT2AKDM4EUSP2
SCHEMBL4955033 0.79 HDAC6 (0.69) HDAC6MEN1KMT2AKDM4EUSP2
SCHEMBL13987063 0.79 DRD3 (0.56) MEN1KMT2AKDM4EPOLBRECQL

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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