SCHEMBL6665598

SCHEMBL6665598

O=c1nc(C=Cc2c(Cl)cccc2Cl)cc(-c2ccco2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
HPGD P15428 3/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6594036 0.80 KDM4E (0.50) KDM4EMAPTCDK1GSK3BCDK5
SCHEMBL6594041 0.80 KDM4E (0.50) KDM4EMAPTCDK1GSK3BCDK5
SCHEMBL6666936 0.75 KDM4E (0.42) KDM4EMAPTCTSVCTSLHPGD
SCHEMBL6666941 0.75 KDM4E (0.42) KDM4EMAPTCTSVCTSLHPGD
SCHEMBL6594202 0.75 MAPT (0.42) KDM4EMAPTHPGDRAB9AALDH1A1
SCHEMBL6594197 0.75 MAPT (0.42) KDM4EMAPTHPGDRAB9AALDH1A1
SCHEMBL6665810 0.74 TNF (0.64) KDM4EMAPTCTSVCTSLCCNB2
SCHEMBL6663559 0.74 POLB (0.37) KDM4EMAPTCTSVCTSLCCNB2
SCHEMBL6594838 0.72 TNF (0.65) KDM4EMAPTHPGDRAB9AALDH1A1
SCHEMBL6594835 0.72 TNF (0.65) KDM4EMAPTHPGDRAB9AALDH1A1

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
WO-2004016271-A1 PYRIMIDONES AS ANTIVIRAL AGENTS AXXIMA PHARMACEUTICALS AG (DE) 2004-02-26 WO claimed
WO-2004016271-A1 PYRIMIDONES AS ANTIVIRAL AGENTS AXXIMA PHARMACEUTICALS AG (DE) 2004-02-26 WO disclosed