SCHEMBL13625639

SCHEMBL13625639

O=C(OCc1cccc(C(F)(F)F)c1)c1cc(C(=O)OCc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.69
PRKCD Q05655 1/20 0.69
MMP1 P03956 1/20 0.55
MMP12 P39900 1/20 0.55
NR4A2 P43354 2/20 0.49
MAPT P10636 2/20 0.48
MAOB P27338 3/20 0.48
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
IDO1 P14902 1/20 0.47
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HTT P42858 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL5335470 0.83 KMT2A (0.60) MAPTLMNAKMT2APKMRAB9A
SCHEMBL13625633 0.82 PRKCA (1.00) PRKCAPRKCDMMP1MMP12NR4A2
SCHEMBL15673939 0.81 NPC1 (0.55) PRKCAPRKCDNR4A2MAPTMAOB
SCHEMBL12856432 0.80 ALOX5 (0.61) MAPTLMNAKMT2APKMRAB9A
SCHEMBL8561986 0.79 KMT2A (0.55) MAPTLMNAKMT2APKMRAB9A
SCHEMBL1578577 0.78 MEN1 (0.52) MAPTMEN1LMNAKMT2APKM
SCHEMBL2003642 0.77 KMT2A (0.53) MAPTMEN1LMNAKMT2APKM
SCHEMBL27747363 0.77 KMT2A (0.53) MAPTLMNAKMT2APKMRAB9A
SCHEMBL13625637 0.77 PRKCA (0.61) PRKCAPRKCDMAPTMAOBMEN1
SCHEMBL9051523 0.77 NPC1 (0.61) MAPTLMNAKMT2APKMRAB9A

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
WO-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO disclosed