SCHEMBL9809060

SCHEMBL9809060

CN(C)Cc1c(F)c(F)c(CN(C)C)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
G6PD P11413 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 1/20 0.33
TSHR P16473 1/20 0.33
CYP3A4 P08684 1/20 0.32

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
SCHEMBL10400570 0.87 KDM4E (0.31) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL10386576 0.87 KDM4E (0.31) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL19445296 0.83 HSD17B10 (0.31)
SCHEMBL31034546 0.78 CA12 (0.54)
SCHEMBL6454800 0.72 ALDH1A1 (0.48) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL14614173 0.69 KDM4E (0.59) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL6044950 0.69 MAPT (0.38) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL578641 0.66 PYCR1 (0.39) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL17193567 0.66 HSD17B10 (0.37) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL22349469 0.65 KDM4E (0.36) MAPTALDH1A1KDM4ETDP1MEN1

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
EP-0117020-B1 METHOD OF PREPARING TETRAHALOBENZENE COMPOUNDS, CHEMICAL INTERMEDIATES USED THEREIN AND CERTAIN OF THE COMPOUNDS THEMSELVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-22 EP disclosed
US-4550206-A Method of preparing tetrahalobenzene compounds, chemical intermediates used therein and certain of the compounds themselves IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1985-10-29 US disclosed
US-4492617-A Method of preparing tetrahalobenzene compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-08 US disclosed
EP-0117020-A2 Method of preparing tetrahalobenzene compounds, chemical intermediates used therein and certain of the compounds themselves IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-08-29 EP disclosed