SCHEMBL6597680

SCHEMBL6597680

COc1ccc(C=Cc2cc(C(F)(F)F)[nH]c(=O)n2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.74
ALDH1A1 P00352 4/20 0.74
MAPT P10636 7/20 0.68
LMNA P02545 5/20 0.68
MEN1 O00255 4/20 0.59
POLB P06746 4/20 0.59
KMT2A Q03164 4/20 0.59
GAA P10253 1/20 0.59
TNF P01375 3/20 0.55
NOD1 Q9Y239 3/20 0.55
RAB9A P51151 3/20 0.55
ESR1 P03372 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
HSPA1A P0DMV8 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 2/20 0.48
PSD A5PKW4 1/20 0.47
PKM P14618 1/20 0.44

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
SCHEMBL6597677 1.00 KDM4E (0.74) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6595936 0.85 ALDH1A1 (1.00) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6595939 0.85 ALDH1A1 (1.00) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6595136 0.84 KDM4E (0.65) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6595131 0.84 KDM4E (0.65) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6595699 0.83 KDM4E (0.65) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6595701 0.83 KDM4E (0.65) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6596481 0.83 ALDH1A1 (0.65) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6597386 0.83 KDM4E (0.65) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6597390 0.83 KDM4E (0.65) KDM4EALDH1A1MAPTLMNAMEN1

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-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 EP claimed
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 EP disclosed