SCHEMBL17870883

SCHEMBL17870883

O=[N+]([O-])c1cc(Cl)ccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.59
HPGD P15428 3/20 0.59
MAPT P10636 3/20 0.59
NPC1 O15118 2/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
PDE7A Q13946 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
PDE7B Q9NP56 2/20 0.51
KIF18A Q8NI77 1/20 0.50
MAPK1 P28482 4/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
APP P05067 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
SCHEMBL5214993 0.92 RAB9A (0.63) RAB9AHPGDMAPTNPC1NFKB1
SCHEMBL16672370 0.87 MAPK1 (0.51) RAB9AHPGDMAPTNPC1NFKB1
SCHEMBL26191608 0.84 RAB9A (0.59) RAB9AHPGDMAPTNPC1NFKB1
SCHEMBL17870894 0.83 RAB9A (0.55) RAB9AHPGDMAPTNPC1NFKB1
SCHEMBL2138649 0.83 MAPK1 (0.57) RAB9AHPGDMAPTNPC1NFKB1
SCHEMBL17035153 0.83 MAPT (0.58) RAB9AHPGDMAPTNPC1NFKB1
SCHEMBL16672317 0.81 ALDH1A1 (0.78) RAB9ANPC1ALDH1A1TDP1CRHBP
SCHEMBL6125034 0.80 MAPK1 (0.63) RAB9AHPGDMAPTNPC1NFKB1
SCHEMBL18419172 0.80 ALDH1A1 (0.75) RAB9ANPC1ALDH1A1TDP1CRHBP
SCHEMBL22531718 0.79 MAPK1 (0.50) RAB9AHPGDMAPTNPC1NFKB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016104954-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-30 WO disclosed
WO-2016104954-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-30 WO disclosed
WO-2016105123-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-30 WO disclosed
WO-2016105123-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-30 WO disclosed