SCHEMBL8562941

SCHEMBL8562941

O=C(OCc1ccccc1)c1cc([N+](=O)[O-])c2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.46
RAB9A P51151 3/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
HTT P42858 1/20 0.46
CCR6 P51684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
COMT P21964 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8597620 0.81 ESR1 (0.51) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL8561159 0.81 SMN1; SMN2 (0.42) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL7720682 0.80 TDP1 (0.51) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL8568311 0.80 ALOX15 (0.53) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL8568794 0.79 HPGD (0.54) ALDH1A1GAAKMT2AMEN1MAPK1
SCHEMBL6079780 0.78 APP (0.47) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL2906705 0.78 MAPT (0.49) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL8567516 0.78 AGTR1 (0.48) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL8559145 0.77 GRM2 (0.52) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL8567699 0.77 ALDH1A1 (0.48) MAPTALDH1A1KMT2AMEN1RAB9A

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