SCHEMBL8569505

SCHEMBL8569505

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
PDE10A Q9Y233 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ABCG2 Q9UNQ0 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
DHODH Q02127 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 2/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.40
AURKA O14965 1/20 0.40
GSK3A P49840 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
SCHEMBL8568499 0.86 POLB (0.46) POLBMEN1KMT2AABCG2SMN1; SMN2
SCHEMBL8560474 0.86 POLB (0.46) POLBTDP1MEN1KMT2AABCG2
SCHEMBL8568264 0.83 POLB (0.41) POLBABCG2SMN1; SMN2RAB9ATSHR
SCHEMBL8562154 0.82 POLB (0.43) POLBMEN1KMT2AABCG2SMN1; SMN2
SCHEMBL8560780 0.81 GAA (0.54) L3MBTL1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL8566078 0.80 PIN1 (0.45) POLBTDP1L3MBTL1MEN1KMT2A
SCHEMBL1033969 0.79 POLB (0.51) POLBTDP1L3MBTL1MEN1KMT2A
SCHEMBL8599819 0.77 PLA2G2A (0.44) POLBMEN1KMT2AMAPTLMNA
SCHEMBL8561101 0.77 POLB (0.53) POLBTDP1MEN1KMT2AABCG2
SCHEMBL8597641 0.76 KDM4E (0.41) POLBMEN1KMT2AABCG2SMN1; SMN2

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 3 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
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed