SCHEMBL8564284

SCHEMBL8564284

O=C(OCc1ccccc1)c1cccnc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
L3MBTL1 Q9Y468 7/20 0.59
RAB9A P51151 2/20 0.59
TSHR P16473 2/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
KMT2A Q03164 6/20 0.57
ALDH1A1 P00352 3/20 0.54
HTT P42858 1/20 0.54
EGLN1 Q9GZT9 1/20 0.53
TDP1 Q9NUW8 4/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.48
MAPK1 P28482 2/20 0.47
CYP3A4 P08684 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL8560654 0.83 RAB9A (0.52) POLBL3MBTL1RAB9ATSHRCASP3
SCHEMBL17674161 0.82 L3MBTL1 (0.54) POLBL3MBTL1RAB9ATSHRKMT2A
SCHEMBL8567302 0.80 RAB9A (0.51) POLBL3MBTL1RAB9ATSHRCASP3
SCHEMBL17674139 0.79 ALDH1A1 (0.57) RAB9ATSHRKMT2AALDH1A1TDP1
SCHEMBL8564375 0.79 KMT2A (0.46) POLBL3MBTL1RAB9AKMT2AALDH1A1
SCHEMBL13960324 0.79 POLB (0.71) POLBL3MBTL1RAB9ATSHRCASP3
SCHEMBL2706463 0.79 ALDH1A1 (0.61) POLBL3MBTL1RAB9ATSHRKMT2A
SCHEMBL8563671 0.78 KMT2A (0.53) POLBL3MBTL1RAB9ATSHRCASP3
SCHEMBL3237870 0.78 NPC1 (0.54) POLBRAB9ACASP3KMT2AALDH1A1
SCHEMBL6266108 0.77 POLB (0.69) POLBL3MBTL1RAB9ATSHRCASP3

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