SCHEMBL28085778

SCHEMBL28085778

O=C(c1ccccc1)c1c([N+](=O)[O-])ccc(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.51
VCAM1 P19320 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
TTR P02766 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL1349352 0.87 MAPK1 (0.51) MAPK1VCAM1MEN1KMT2ALMNA
SCHEMBL28865817 0.84 MAPK1 (0.49) MAPK1VCAM1MEN1KMT2ALMNA
SCHEMBL29197041 0.83 TDP1 (0.50) VCAM1MEN1KMT2ALMNAMAPT
SCHEMBL28085781 0.83 MAPK1 (0.50) MAPK1VCAM1MEN1KMT2ALMNA
SCHEMBL4688384 0.82 TDP1 (0.50) MAPK1VCAM1MEN1KMT2ALMNA
Acetic Acid SCHEMBL27660224 0.78 TDP1 (0.50) MAPK1VCAM1MEN1KMT2ALMNA
SCHEMBL1974337 0.78 TDP1 (0.43) MAPK1VCAM1MEN1KMT2ALMNA
Diphenylether SCHEMBL27785601 0.78 CES2 (0.46) MAPK1VCAM1MEN1KMT2ALMNA
SCHEMBL8555024 0.77 MAPK1 (0.51) MAPK1VCAM1MEN1KMT2ALMNA
SCHEMBL7497537 0.77 VCAM1 (0.68) MAPK1VCAM1MEN1KMT2ALMNA

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
CN-103874742-B Carbazolocarbazole-bis (dicarboximides) and their use as semiconductors 巴斯夫欧洲公司 2016-08-17 CN disclosed