SCHEMBL8566835

SCHEMBL8566835

O=Nc1cnc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
S100A4 P26447 2/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.40
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
GPR3 P46089 1/20 0.38
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
PDPK1 O15530 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL8561101 0.78 POLB (0.53) MEN1KMT2AS100A4ALDH1A1POLB
SCHEMBL202480 0.77 MEN1 (0.45) MEN1KMT2AS100A4ALDH1A1POLB
SCHEMBL9602589 0.77 S100A4 (0.53) MEN1KMT2AS100A4ALDH1A1POLB
SCHEMBL8568380 0.77 MEN1 (0.45) MEN1KMT2AS100A4ALDH1A1POLB
SCHEMBL31581131 0.77 MEN1 (0.45) MEN1KMT2AS100A4ALDH1A1POLB
SCHEMBL12157826 0.73 MAOA (0.45) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL15337220 0.73 KDM4E (0.45) MEN1KMT2AALDH1A1POLBCYP3A4
SCHEMBL20291524 0.71 CYP3A4 (0.61) MEN1KMT2AS100A4ALDH1A1POLB
SCHEMBL10904937 0.70 NPY1R (0.55) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL9770640 0.67 CTSB (0.54) MEN1KMT2AALDH1A1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1089757-C Process for produducing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 2002-08-28 CN disclosed
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