SCHEMBL8563963

SCHEMBL8563963

O=C(OCc1ccccc1)c1cnccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
TDP1 Q9NUW8 3/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 2/20 0.51
ALDH1A1 P00352 4/20 0.50
RXFP1 Q9HBX9 1/20 0.49
RAB9A P51151 2/20 0.49
HTT P42858 1/20 0.49
POLB P06746 1/20 0.49
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
TSHR P16473 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 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
SCHEMBL2706463 0.84 ALDH1A1 (0.61) KMT2ATDP1LMNAMAPTALDH1A1
SCHEMBL29286546 0.83 TDP1 (0.63) KMT2ATDP1LMNAALDH1A1RAB9A
SCHEMBL4070785 0.80 ALDH1A1 (0.52) KMT2ALMNAMAPTALDH1A1RAB9A
SCHEMBL7886556 0.80 TDP1 (0.54) KMT2ATDP1LMNAALDH1A1RAB9A
SCHEMBL2343365 0.79 ALDH1A1 (0.51) KMT2ATDP1LMNAMAPTALDH1A1
SCHEMBL25306107 0.79 POLB (0.59) KMT2ATDP1LMNAALDH1A1RAB9A
SCHEMBL8561530 0.79 HTT (0.52) KMT2AMAPTALDH1A1HTTPOLB
SCHEMBL27855607 0.79 KMT2A (0.71) KMT2ALMNAMAPTALDH1A1HTT
SCHEMBL8124275 0.79 TDP1 (0.58) KMT2ATDP1LMNAMAPTALDH1A1
SCHEMBL28323455 0.78 RAB9A (0.59) KMT2ATDP1LMNAMAPTALDH1A1

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