SCHEMBL6597386

SCHEMBL6597386

COc1ccc(/C=C/c2cc(C(F)(F)F)[nH]c(=O)n2)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 4/20 0.65
MAPT P10636 5/20 0.63
LMNA P02545 3/20 0.63
TNF P01375 3/20 0.58
NOD1 Q9Y239 3/20 0.58
RAB9A P51151 1/20 0.57
CYP1A1 P04798 9/20 0.51
CYP1B1 Q16678 9/20 0.51
CYP1A2 P05177 8/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 3/20 0.50
POLB P06746 2/20 0.50
GAA P10253 1/20 0.50
HSPA1A P0DMV8 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NFE2L2 Q16236 2/20 0.47

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
SCHEMBL6597390 1.00 KDM4E (0.65) KDM4EALDH1A1MAPTLMNATNF
SCHEMBL6593619 0.87 KDM4E (0.57) KDM4EALDH1A1MAPTLMNATNF
SCHEMBL6596372 0.87 KDM4E (0.57) KDM4EALDH1A1MAPTLMNATNF
SCHEMBL6592496 0.87 ALDH1A1 (0.60) KDM4EALDH1A1MAPTLMNATNF
SCHEMBL6592492 0.87 ALDH1A1 (0.60) KDM4EALDH1A1MAPTLMNATNF
SCHEMBL6597677 0.83 KDM4E (0.74) KDM4EALDH1A1MAPTLMNATNF
SCHEMBL6597680 0.83 KDM4E (0.74) KDM4EALDH1A1MAPTLMNATNF
SCHEMBL6593916 0.81 MAPT (0.68) KDM4EALDH1A1MAPTLMNATNF
SCHEMBL6596139 0.81 KDM4E (0.67) KDM4EALDH1A1MAPTLMNATNF
SCHEMBL6593920 0.81 MAPT (0.68) KDM4EALDH1A1MAPTLMNATNF

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