SCHEMBL8600334

SCHEMBL8600334

C=CCNC(=O)c1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
PKM P14618 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATG4B Q9Y4P1 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL8560780 0.83 GAA (0.54) ALDH1A1HPGDPKMKDM4EMEN1
SCHEMBL8595814 0.79 KMT2A (0.46) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL8597641 0.79 KDM4E (0.41) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL5452427 0.78 MAPT (0.48) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL8598657 0.77 HPGD (0.50) ALDH1A1HPGDPKMKDM4EMEN1
SCHEMBL8599626 0.77 HPGD (0.50) ALDH1A1HPGDPKMKDM4EMEN1
SCHEMBL8569505 0.76 POLB (0.47) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL8982093 0.76 HPGD (0.62) ALDH1A1HPGDPKMKDM4EMEN1
SCHEMBL8596997 0.76 HTT (0.51) ALDH1A1HPGDPKMKDM4EMEN1
SCHEMBL8560474 0.75 POLB (0.46) ALDH1A1MEN1KMT2AMAPTHTT

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
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
CN-1138033-A Process for produducing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1996-12-18 CN disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed