SCHEMBL10073944

SCHEMBL10073944

N=C1C=C(Cl)C(=O)C(Cl)=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
ALOX12 P18054 2/20 0.33
RECQL P46063 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CES2 O00748 2/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
CES1 P23141 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL57203 0.73 MEN1 (0.50) MEN1ALDH1A1MAPTHPGDALOX12
SCHEMBL12267615 0.73 MEN1 (0.36) MEN1ALDH1A1MAPTHPGDALOX12
SCHEMBL11650513 0.69
SCHEMBL478999 0.65 MEN1 (0.31) MEN1ALDH1A1MAPTHPGDALOX12
SCHEMBL17408811 0.63 MEN1 (0.33) MEN1ALDH1A1MAPTHPGDALOX12
SCHEMBL28728691 0.63
SCHEMBL2068932 0.62 MEN1 (0.46) MEN1ALDH1A1MAPTHPGDALOX12
SCHEMBL13954374 0.61
SCHEMBL12954422 0.61 MEN1 (0.32) MEN1ALDH1A1MAPTHPGDRECQL
SCHEMBL1890738 0.61 MAPT (0.44) MEN1ALDH1A1MAPTHPGDALOX12

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-8668821-B2 Detection of phenols ISIS INNOVATION LIMITED (GB) 2014-03-11 US disclosed
US-8668821-B2 Detection of phenols ISIS INNOVATION LIMITED (GB) 2014-03-11 US disclosed
US-20130098779-A1 Detection of Phenols ISIS INNOVATION LIMITED (GB) 2013-04-25 US disclosed
US-20130098779-A1 Detection of Phenols ISIS INNOVATION LIMITED (GB) 2013-04-25 US disclosed
EP-1891423-B1 DETECTION OF PHENOLS ISIS INNOVATION (GB) 2012-02-22 EP disclosed
US-20090294298-A1 Detection of Phenols ISIS INNOVATION LIMITED (GB) 2009-12-03 US disclosed
US-20090294298-A1 Detection of Phenols ISIS INNOVATION LIMITED (GB) 2009-12-03 US disclosed