SCHEMBL8564994

SCHEMBL8564994

COCC=Cc1c([N+](=O)[O-])c(N)nc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGMT P16455 3/20 0.39
EGFR P00533 1/20 0.38
MAPT P10636 6/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 3/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TLR8 Q9NR97 1/20 0.34

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
SCHEMBL8564990 1.00 MGMT (0.39) MGMTEGFRMAPTLMNAHPGD
SCHEMBL8566394 0.85 POLB (0.38) EGFRMAPTLMNAHPGDPOLB
SCHEMBL8566398 0.85 POLB (0.38) EGFRMAPTLMNAHPGDPOLB
SCHEMBL8564063 0.83 EGFR (0.39) MGMTEGFRMAPTLMNAHPGD
SCHEMBL8564067 0.83 EGFR (0.39) MGMTEGFRMAPTLMNAHPGD
SCHEMBL8567128 0.80 MAPT (0.39) MGMTMAPTLMNAHPGDNPSR1
SCHEMBL8562134 0.80 NFE2L2 (0.41) MGMTMAPTLMNAPOLBALDH1A1
SCHEMBL8567126 0.80 MAPT (0.39) MGMTMAPTLMNAHPGDNPSR1
SCHEMBL8569251 0.76 POLB (0.40) MAPTLMNAPOLBALDH1A1HTT
SCHEMBL8569255 0.76 POLB (0.40) MAPTLMNAPOLBALDH1A1HTT

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