SCHEMBL820163

SCHEMBL820163

C=C(C)C(=O)NCCCNC(=O)CBr

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FAAH O00519 2/20 0.34
ADORA1 P30542 2/20 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
SCHEMBL632876 0.85 KDM4E (0.46) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL16309325 0.83 KDM4E (0.44) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL16309303 0.82 FAAH (0.46) MEN1KMT2ASMN1; SMN2FAAHCASP2
SCHEMBL4940478 0.82 ALDH1A1 (0.56) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL219655 0.82 MEN1 (0.40) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL9948914 0.82 KDM4E (0.39) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL907569 0.81 KDM4E (0.52) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL16853223 0.81 ALDH1A1 (0.48) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL24099895 0.79 KDM4E (0.41) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL20319875 0.79 KDM4E (0.58) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385335-B2 Modified surfaces CENTRILLION TECHNOLOGY HOLDINGS CORPORATION (KY) 2019-08-20 US disclosed
US-20160298110-A1 MODIFIED SURFACES CENTRILLION TECHNOLOGY HOLDINGS CORPORATION (KY) 2016-10-13 US disclosed
EP-3077430-A1 MODIFIED SURFACES Centrillion Technology Holding Corporation (KY) 2016-10-12 EP disclosed
WO-2015085268-A1 MODIFIED SURFACES CENTRILLION TECHNOLOGY HOLDINGS CORPORATION (KY) 2015-06-11 WO disclosed
US-20120010707-A1 METHODS AND REAGENTS FOR PREPARING BIOMOLECULE-CONTAINING COATINGS Surmodics Coatings, LLC 2012-01-12 US disclosed
US-20050281857-A1 Methods and reagents for preparing biomolecule-containing coatings Surmodics Coatings, LLC 2005-12-22 US disclosed
WO-2005115490-A2 NATURAL BIODEGRADABLE POLYSACCHARIDE COATINGS FOR MEICAL ARTICLES SURMODICS, INC. (US) 2005-12-08 WO disclosed