SCHEMBL6594487

SCHEMBL6594487

COc1cc(/C=C/c2cc(C(F)(F)F)[nH]c(=O)n2)c(Cl)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.64
NOD1 Q9Y239 3/20 0.64
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 5/20 0.59
MAPT P10636 5/20 0.59
LMNA P02545 3/20 0.59
HPGD P15428 2/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HSPA1A P0DMV8 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
POLB P06746 4/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 2/20 0.51
PSD A5PKW4 1/20 0.44
USP2 O75604 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 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
SCHEMBL6594489 1.00 TNF (0.64) TNFNOD1ALDH1A1KDM4EMAPT
SCHEMBL6661728 0.80 TNF (0.39) TNFNOD1ALDH1A1KDM4EMAPT
SCHEMBL6664825 0.80 TNF (0.39) TNFNOD1ALDH1A1KDM4EMAPT
SCHEMBL6595479 0.80 KDM4E (0.81) TNFNOD1ALDH1A1KDM4EMAPT
SCHEMBL6595484 0.80 KDM4E (0.81) TNFNOD1ALDH1A1KDM4EMAPT
SCHEMBL6596145 0.79 MAPT (0.60) TNFNOD1ALDH1A1KDM4EMAPT
SCHEMBL6596147 0.79 MAPT (0.60) TNFNOD1ALDH1A1KDM4EMAPT
SCHEMBL6594492 0.78 TNF (0.74) TNFNOD1ALDH1A1KDM4EMAPT
SCHEMBL6594496 0.78 TNF (0.74) TNFNOD1ALDH1A1KDM4EMAPT
SCHEMBL6594343 0.78 MAPT (0.80) TNFNOD1ALDH1A1KDM4EMAPT

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