SCHEMBL6046338

SCHEMBL6046338

CCOC(=O)C=Cc1c[nH]c2cc(Br)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ATM Q13315 1/20 0.57
CYP2A6 P11509 1/20 0.54
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRB2 P47870 1/20 0.48
TDO2 P48775 1/20 0.48
TTR P02766 1/20 0.43
DPP4 P27487 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CCNC P24863 2/20 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
SCHEMBL6046337 1.00 MAPT (0.57) MAPTKDM4EMEN1KMT2AATM
SCHEMBL2304774 0.83 MAPT (0.79) MAPTKDM4EMEN1KMT2AATM
SCHEMBL2304778 0.83 MAPT (0.79) MAPTKDM4EMEN1KMT2AATM
SCHEMBL12426701 0.83 MAPT (0.79) MAPTKDM4EMEN1KMT2AATM
SCHEMBL31447968 0.82 TDO2 (0.68) MAPTKDM4EMEN1KMT2ACYP2A6
SCHEMBL19179799 0.82 TDO2 (0.68) MAPTKDM4EMEN1KMT2ACYP2A6
SCHEMBL15245773 0.81 MAPT (0.58) MAPTKDM4EMEN1KMT2AATM
SCHEMBL15324505 0.79 MAPT (0.48) MAPTKDM4EMEN1KMT2AATM
SCHEMBL15324508 0.79 MAPT (0.48) MAPTKDM4EMEN1KMT2AATM
SCHEMBL28969558 0.79 MAPT (0.56) MAPTKDM4EMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060261267-A1 Composite MALDI matrix material and methods of using it and kits thereof in MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2006-11-23 US claimed
WO-2006124003-A1 COMPOSITE MALDI MATRIX MATERIAL AND METHODS OF USING IT AND KITS THEREOF IN MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-23 WO claimed
WO-2006124003-A1 COMPOSITE MALDI MATRIX MATERIAL AND METHODS OF USING IT AND KITS THEREOF IN MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-23 WO disclosed
US-20060261267-A1 Composite MALDI matrix material and methods of using it and kits thereof in MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2006-11-23 US disclosed