SCHEMBL8988307

SCHEMBL8988307

O=[N+]([O-])c1n[nH]c2ccccc12.c1c[nH]nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 5/20 0.38
STAT3 P40763 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PDPK1 O15530 1/20 0.37
CYP3A4 P08684 1/20 0.37
NOS1 P29475 1/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 2/20 0.35
CNR2 P34972 2/20 0.35
IDO1 P14902 2/20 0.35
ALPL P05186 1/20 0.35
TTK P33981 1/20 0.35
MAPK10 P53779 1/20 0.35
LRRK2 Q5S007 3/20 0.34

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
SCHEMBL30071547 0.85 KDM4E (0.48) MAPTHPGDKDM4ESTAT3HIF1A
SCHEMBL342380 0.85 KDM4E (0.48) MAPTHPGDKDM4ESTAT3HIF1A
Hydrochloric Acid SCHEMBL28220934 0.83 KDM4E (0.47) MAPTHPGDKDM4ESTAT3HIF1A
Carbamic Acid SCHEMBL1861901 0.77 KDM4E (0.45) MAPTHPGDKDM4ESTAT3HIF1A
SCHEMBL27814441 0.74 ALDH1A1 (0.43) HPGDALDH1A1MEN1KMT2ANPC1
Nitrobenzene SCHEMBL1628920 0.72 ALDH1A1 (0.57) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL9493092 0.70 FGFR1 (0.46) MAPTHPGDKDM4ESTAT3HIF1A
SCHEMBL27814440 0.70 NPC1 (0.47) MAPTALDH1A1MEN1KMT2ALMNA
Carbazole SCHEMBL18261945 0.70 ALDH1A1 (0.56) MAPTHPGDKDM4EALDH1A1GAA
SCHEMBL28013541 0.69 MEN1 (0.30) MEN1KMT2A

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-0452811-B1 Package of photosensitive material FUJI PHOTO FILM CO LTD (JP) 1996-07-10 EP disclosed