SCHEMBL16799799

SCHEMBL16799799

O=[N+]([O-])c1ccccc1-c1ccc2cn(-c3ccccc3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
MAPT P10636 5/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
LMNA P02545 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
NFKB1 P19838 1/20 0.49
CASP3 P42574 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HSP90AA1 P07900 1/20 0.43
ESR2 Q92731 1/20 0.41
PTGS2 P35354 2/20 0.40
GLA P06280 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
SCHEMBL16799863 0.90 MAPT (0.54) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL18169192 0.79 RAB9A (1.00) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL16799858 0.78 MAPT (0.49) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL16799859 0.76 ALDH1A1 (0.47) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL16799953 0.75 PARP1 (0.49) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL16799797 0.75 MEN1 (0.48) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL15055251 0.74 ALDH1A1 (0.66) MAPTNPC1RAB9ALMNACASP3
SCHEMBL15430959 0.73 ALDH1A1 (0.49) MEN1KMT2AMAPTRAB9ATDP1
SCHEMBL15055905 0.73 ALDH1A1 (0.63) MAPTLMNATDP1ALDH1A1L3MBTL1
SCHEMBL15430998 0.72 KDM4E (0.50) MEN1KMT2AMAPTNPC1LMNA

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