SCHEMBL14619409

SCHEMBL14619409

CN(C)c1ccc(/C=C/c2nc3ccccc3nc2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
RAB9A P51151 5/20 0.55
MAPK1 P28482 2/20 0.55
KDM4E B2RXH2 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
RELA Q04206 1/20 0.54
APP P05067 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
S100A4 P26447 1/20 0.52
INSR P06213 1/20 0.52
NCOA1 Q15788 1/20 0.52
PTGS1 P23219 1/20 0.49
NPC1 O15118 3/20 0.48
KLF5 Q13887 1/20 0.48
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
HBB P68871 1/20 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
SCHEMBL10371974 0.89 RELA (0.63) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL10435447 0.89 RELA (0.63) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL14027211 0.82 NPC1 (0.50) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL10435351 0.80 APP (0.61) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL15958645 0.79 MAPT (0.52) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL30464972 0.78 MAPT (0.61) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL12669913 0.76 MAPT (0.49) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL5613592 0.76 RELA (0.51) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL12676802 0.76 S100A4 (0.50) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL9000562 0.76 MAPT (0.64) MAPTMEN1KMT2ARAB9AMAPK1

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
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed