SCHEMBL11568539

SCHEMBL11568539

O=C(OCC(Br)(CO)[N+](=O)[O-])c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
HIF1A Q16665 1/20 0.56
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 4/20 0.45
ALOX5 P09917 1/20 0.44
SLC6A3 Q01959 2/20 0.44
SLC6A2 P23975 1/20 0.44
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 0.43
SCN1A P35498 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL11144859 0.92 MAPK1 (0.61) MAPK1HIF1AKMT2AALDH1A1LMNA
SCHEMBL8330261 0.87 ESR1 (0.46) MAPK1HIF1AKMT2AALDH1A1LMNA
SCHEMBL14733094 0.81 MAPK1 (0.62) MAPK1HIF1AKMT2AALDH1A1LMNA
SCHEMBL1681317 0.75 MAPK1 (0.81) MAPK1HIF1AKMT2AALDH1A1LMNA
SCHEMBL2333610 0.75 MAPK1 (0.81) MAPK1HIF1AKMT2AALDH1A1LMNA
SCHEMBL4576866 0.75 MAPK1 (0.81) MAPK1HIF1AKMT2AALDH1A1LMNA
SCHEMBL11052989 0.75 MAPK1 (0.74) MAPK1HIF1AKMT2AALDH1A1LMNA
SCHEMBL7129223 0.74 LMNA (0.57) ALDH1A1LMNA
SCHEMBL27620 0.73 MAPK1 (1.00) MAPK1HIF1AKMT2AALDH1A1LMNA
SCHEMBL14876873 0.72 MAPK1 (0.65) MAPK1HIF1AKMT2AALDH1A1LMNA

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
EP-0003263-A1 A method of forming an image, and an imaging element for inhibiting image formation with cobalt (III) complexes EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1979-08-08 EP disclosed