SCHEMBL8567516

SCHEMBL8567516

O=C(OCc1ccccc1)c1cc([N+](=O)[O-])nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
DHODH Q02127 5/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL8602319 0.81 TSHR (0.52) AGTR1LMNAALDH1A1KDM4ETDP1
SCHEMBL8564524 0.81 MAPT (0.43) AGTR1LMNAALDH1A1MAPTKDM4E
SCHEMBL1902851 0.80 KDM4E (0.68) ALDH1A1MAPTKDM4EDHODHKMT2A
SCHEMBL8563618 0.80 ALDH1A1 (0.59) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL8568306 0.79 TACR3 (0.63) MAPTKDM4EKMT2AHPGDPOLB
SCHEMBL8562941 0.78 MAPT (0.57) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL8563079 0.77 NCOA1 (0.54) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL8564716 0.77 MAPT (0.47) AGTR1LMNAALDH1A1MAPTKDM4E
SCHEMBL8561607 0.76 MAPT (0.47) LMNAMAPTKMT2ARAB9AHPGD
SCHEMBL1902645 0.74 TDP1 (0.55) ALDH1A1MAPTKDM4EDHODHKMT2A

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