SCHEMBL8736382

SCHEMBL8736382

O=C(O)c1c[nH]c2c(OC(F)F)c(F)c(F)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
CSNK2A2 P19784 4/20 0.41
CSNK2B P67870 4/20 0.41
CSNK2A1 P68400 4/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
CYP1A2 P05177 3/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
DNA2 P51530 1/20 0.37
CASP6 P55212 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
LMNA P02545 1/20 0.37
TET2 Q6N021 1/20 0.36
TET1 Q8NFU7 1/20 0.36
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 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
SCHEMBL9535556 0.81 ALDH1A1 (0.48) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL1878010 0.81 KDM4E (0.51) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL30361027 0.80 ALDH1A1 (0.39) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL29137881 0.80 ALDH1A1 (0.39) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL29137880 0.79 PRKAB2 (0.44) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL30307775 0.78 KDM4E (0.49) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL13484134 0.77 CSNK2A1 (0.56) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL8319010 0.76
SCHEMBL10768287 0.74 CSNK2A2 (0.44) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL11258062 0.74 CSNK2A1 (0.52) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 EP disclosed