SCHEMBL16799863

SCHEMBL16799863

O=[N+]([O-])c1ccccc1-c1ccc2nn(-c3ccccc3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
RAB9A P51151 5/20 0.54
NPC1 O15118 3/20 0.54
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ESR2 Q92731 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HSP90AA1 P07900 1/20 0.43
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL16799799 0.90 MEN1 (0.64) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL16799858 0.87 MAPT (0.49) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL16799859 0.86 ALDH1A1 (0.47) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL13492787 0.79 MAPT (0.79) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL16799953 0.75 PARP1 (0.49) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL16799797 0.75 MEN1 (0.48) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL15055251 0.74 ALDH1A1 (0.66) MAPTRAB9ANPC1LMNATDP1
SCHEMBL15430958 0.74 ALDH1A1 (0.50) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL15055905 0.73 ALDH1A1 (0.63) MAPTLMNATDP1ALDH1A1L3MBTL1
SCHEMBL15430813 0.72 FGFR1 (0.64) TDP1ALDH1A1MAPK1HTTFGFR1

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-2015084043-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-06-11 WO disclosed