SCHEMBL1490644

SCHEMBL1490644

C=CC(=O)C=C(c1cc(OC)cc(Br)c1O)c1cc(OC)cc(Br)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.38
LCK P06239 4/20 0.37
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
PTPN2 P17706 2/20 0.35
PTPN1 P18031 2/20 0.35
PTPN6 P29350 2/20 0.35
LRRK2 Q5S007 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL1490663 0.85 HSD17B10 (0.44) LCKGAAPOLBTGM2HPGD
SCHEMBL30601557 0.79 CYP3A4 (0.50) SLC22A12LCKKDM4EGAAPTPN1
SCHEMBL3922933 0.79 CYP3A4 (0.50) SLC22A12LCKKDM4EGAAPTPN1
SCHEMBL1490631 0.77 NPC1 (0.47) KDM4EMEN1KMT2ACYP3A4HPGD
SCHEMBL1490951 0.74 MAPT (0.55) KDM4EMEN1POLBKMT2AALDH1A1
SCHEMBL5241500 0.74 GAA (0.50) SLC22A12KDM4EGAAALOX5PTGS2
SCHEMBL5415882 0.74 SLC22A12 (0.43) SLC22A12LCKKDM4EALOX5PTGS2
SCHEMBL3927448 0.71 GSK3B (0.47) SLC22A12KDM4EPTPN1ALOX5PTGS2
SCHEMBL31426087 0.71 GSK3B (0.47) SLC22A12KDM4EPTPN1ALOX5PTGS2
SCHEMBL31426090 0.71 GSK3B (0.47) SLC22A12KDM4EPTPN1ALOX5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477698-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES Centre National de la Recherche Scientifique (FR) 2012-07-25 EP disclosed
WO-2011033115-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-24 WO disclosed