SCHEMBL8601050

SCHEMBL8601050

COCC=Cc1cc([N+](=O)[O-])nc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 5/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
THRB P10828 1/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL8601047 1.00 POLB (0.39) POLBKMT2AMEN1TDP1NPC1
SCHEMBL8567734 0.79 MAPT (0.45) POLBKMT2AMEN1TDP1NPC1
SCHEMBL8567732 0.79 MAPT (0.45) POLBKMT2AMEN1TDP1NPC1
SCHEMBL8565695 0.78 KMT2A (0.42) POLBKMT2AMEN1TDP1NPC1
SCHEMBL8565698 0.78 KMT2A (0.42) POLBKMT2AMEN1TDP1NPC1
SCHEMBL8559988 0.78 NFE2L2 (0.47) POLBKMT2AMEN1TDP1NPC1
SCHEMBL8564067 0.76 EGFR (0.39) POLBKMT2AMEN1TDP1NPC1
SCHEMBL8566394 0.76 POLB (0.38) POLBKMT2AMEN1TDP1NPC1
SCHEMBL8566398 0.76 POLB (0.38) POLBKMT2AMEN1TDP1NPC1
SCHEMBL8564063 0.76 EGFR (0.39) POLBKMT2AMEN1TDP1NPC1

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