SCHEMBL8563671

SCHEMBL8563671

O=C(OCc1ccccc1)c1ncccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 2/20 0.53
NPC1 O15118 2/20 0.53
ATM Q13315 1/20 0.53
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.49
TSHR P16473 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 2/20 0.47
EGLN1 Q9GZT9 1/20 0.47
MAPT P10636 2/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HTT P42858 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
SCHEMBL6597210 0.82 MAPT (0.60) KMT2ARAB9ANPC1L3MBTL1LMNA
SCHEMBL8566020 0.79 MEN1 (0.52) KMT2ARAB9AMEN1NPC1ATM
SCHEMBL2706463 0.79 ALDH1A1 (0.61) KMT2ARAB9AMEN1NPC1POLB
SCHEMBL19808952 0.79 TDP1 (0.59) KMT2ARAB9APOLBL3MBTL1TSHR
SCHEMBL8564284 0.78 POLB (0.63) KMT2ARAB9AMEN1POLBL3MBTL1
SCHEMBL29028896 0.78 ALDH1A1 (0.60) KMT2ARAB9AMEN1NPC1POLB
SCHEMBL8564059 0.78 RAB9A (0.49) KMT2ARAB9APOLBL3MBTL1TSHR
SCHEMBL20201222 0.77 POLB (0.57) KMT2ARAB9ANPC1POLBL3MBTL1
SCHEMBL28041139 0.77 POLB (0.57) KMT2ARAB9ANPC1POLBL3MBTL1
SCHEMBL28566933 0.77 POLB (0.65) KMT2ARAB9AMEN1POLBL3MBTL1

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