SCHEMBL3725713

SCHEMBL3725713

C/C(=C/C(=O)O)Nc1ccccc1N/C(C)=C\C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
GAA P10253 5/20 0.59
KDM4E B2RXH2 5/20 0.59
KMT2A Q03164 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
MAPK1 P28482 5/20 0.47
HPGD P15428 4/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MEN1 O00255 2/20 0.45
THRB P10828 1/20 0.45
CYP2C19 P33261 3/20 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
SCHEMBL3725716 1.00 MAPT (0.59) MAPTGAAKDM4EKMT2ATDP1
SCHEMBL9814258 0.89 HDAC3 (0.56) MAPTGAAKDM4EKMT2ATDP1
SCHEMBL29110388 0.89 HPGD (0.61) MAPTGAAKDM4EKMT2ATDP1
SCHEMBL9814260 0.89 HDAC3 (0.56) MAPTGAAKDM4EKMT2ATDP1
SCHEMBL1975200 0.83 MAPT (0.63) MAPTGAAKDM4EKMT2ATDP1
SCHEMBL14482921 0.83 MAPT (0.63) MAPTGAAKDM4EKMT2ATDP1
SCHEMBL1975201 0.83 MAPT (0.63) MAPTGAAKDM4EKMT2ATDP1
SCHEMBL14482127 0.78 MAPT (0.45) MAPTGAAKDM4EKMT2ATDP1
SCHEMBL14482124 0.78 MAPT (0.45) MAPTGAAKDM4EKMT2ATDP1
SCHEMBL10491011 0.77 MAPT (0.65) MAPTGAAKDM4EKMT2AMAPK1

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-2010070232-A1 NOVEL RARE EARTH ELEMENT CRYPTATES INCLUDING A TETRAAZATRIPHENYLENE UNIT CIS BIO INTERNATIONAL (FR) 2010-06-24 WO disclosed