SCHEMBL6748580

SCHEMBL6748580

CC(C)(C)NC(=O)c1ccc2ccccc2c1-c1c(C(=O)NC(C)(C)C)ccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.56
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
LDHA P00338 1/20 0.46
PLK1 P53350 1/20 0.45
KDM4A O75164 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MMP3 P08254 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL10719823 0.87 LDHA (0.59) MEN1KMT2AMAPTKDM4ELDHA
SCHEMBL161966 0.85 KDM4E (0.49) WDR5MEN1KMT2AMAPTKDM4E
SCHEMBL6844201 0.84 KDM4E (0.48) WDR5MEN1KMT2AMAPTKDM4E
SCHEMBL6464894 0.83 PLK1 (0.66) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL158637 0.81 KDM4E (0.46) WDR5MEN1KMT2AMAPTKDM4E
SCHEMBL10289511 0.79 CXCR2 (0.53) WDR5KDM4ELDHAPLK1
SCHEMBL6746769 0.77 WDR5 (0.56) WDR5MEN1KMT2AMAPTKDM4E
SCHEMBL6748722 0.76 MAPT (0.61) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL5231005 0.75 TAS1R3 (0.53) MEN1KMT2AKDM4EPOLBMAOA
SCHEMBL13958742 0.75 MAOA (0.41) MEN1KMT2AKDM4EPOLBMAOA

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-1092729-B1 POLYMERIZATION CATALYST, NOVEL TRANSITION METAL COMPOUND, AND POLYMERIZATION METHOD AND COPOLYMER USING THEM MITSUI CHEMICALS INC (JP) 2012-09-26 EP disclosed
US-6703459-B1 ORGANIC TRANSITION METAL COMPLEXES HAVING SPECIFIC STRUCTURE, WHICH CAN FORM COPOLYMERS HAVING LINKAGE FORMED BY MIGRATION OF ACTIVE HYDROGEN OF UNSATURATED MONOMER MITSUI CHEMICALS, INC. (JP) 2004-03-09 US disclosed
EP-1092729-A1 POLYMERIZATION CATALYST, NOVEL TRANSITION METAL COMPOUND, AND POLYMERIZATION METHOD AND COPOLYMER USING THEM Mitsui Chemicals, Inc. (JP) 2001-04-18 EP disclosed