SCHEMBL6594134

SCHEMBL6594134

COc1c(Br)cc(Br)cc1/C=C/c1cc(C(F)(F)F)[nH]c(=O)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
KDM4E B2RXH2 6/20 0.63
MAPT P10636 6/20 0.63
LMNA P02545 3/20 0.63
TNF P01375 3/20 0.54
NOD1 Q9Y239 3/20 0.54
RAB9A P51151 1/20 0.54
HPGD P15428 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSPA1A P0DMV8 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 8/20 0.45
KMT2A Q03164 8/20 0.45
POLB P06746 4/20 0.45
GAA P10253 2/20 0.45
PSD A5PKW4 1/20 0.42
USP2 O75604 3/20 0.39
RECQL P46063 2/20 0.39
TLR9 Q9NR96 1/20 0.39

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
SCHEMBL6594138 1.00 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTLMNATNF
SCHEMBL6596139 0.83 KDM4E (0.67) ALDH1A1KDM4EMAPTLMNATNF
SCHEMBL6596143 0.83 KDM4E (0.67) ALDH1A1KDM4EMAPTLMNATNF
SCHEMBL6594013 0.82 TNF (0.57) ALDH1A1KDM4EMAPTLMNATNF
SCHEMBL6594011 0.82 TNF (0.57) ALDH1A1KDM4EMAPTLMNATNF
SCHEMBL6596147 0.82 MAPT (0.60) ALDH1A1KDM4EMAPTLMNATNF
SCHEMBL6596145 0.82 MAPT (0.60) ALDH1A1KDM4EMAPTLMNATNF
SCHEMBL6591760 0.81 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTLMNATNF
SCHEMBL6592445 0.81 TNF (0.66) ALDH1A1KDM4EMAPTLMNATNF
SCHEMBL6591764 0.81 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTLMNATNF

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