SCHEMBL8565505

SCHEMBL8565505

Nc1nccc(O)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
HTT P42858 4/20 0.45
KDM4E B2RXH2 1/20 0.45
MITF O75030 1/20 0.45
GPR35 Q9HC97 1/20 0.44
LMNA P02545 5/20 0.42
NOD2 Q9HC29 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PRMT1 Q99873 1/20 0.38
KMT2A Q03164 1/20 0.38
MGMT P16455 1/20 0.37

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
SCHEMBL31571463 0.80 GPR35 (0.47) MAPTHTTKDM4EGPR35LMNA
SCHEMBL3688848 0.80 MAPT (0.47) MAPTHTTKDM4EMITFLMNA
SCHEMBL1191637 0.80 GPR35 (0.47) MAPTHTTKDM4EGPR35LMNA
SCHEMBL8568773 0.78 MAPT (0.46) MAPTHTTKDM4EMITFGPR35
SCHEMBL8567191 0.78 NAPRT (0.50) MAPTHTTKDM4EMITFLMNA
SCHEMBL783847 0.77 HTT (0.45) MAPTHTTKDM4EMITFLMNA
SCHEMBL11713155 0.77 MAPT (0.45) MAPTHTTKDM4EMITFLMNA
SCHEMBL18474448 0.77 MAPT (0.45) MAPTHTTKDM4EMITFLMNA
SCHEMBL1135488 0.77 GPR35 (0.44) MAPTHTTKDM4EGPR35LMNA
SCHEMBL11708343 0.77 MAPT (0.47) MAPTHTTKDM4EMITFLMNA

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
US-8030478-B2 Method for nucleic acid replication and novel artificial base pairs RIKEN (JP) 2011-10-04 US disclosed
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