SCHEMBL8599452

SCHEMBL8599452

C=CCc1c([N+](=O)[O-])c(N)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
MGMT P16455 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 4/20 0.37
CYP3A4 P08684 1/20 0.37
ATM Q13315 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.36
BLM P54132 2/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL8566816 0.82 MAPT (0.43) MAPTMGMTLMNAMAPK1HPGD
SCHEMBL2948263 0.81 KMT2A (0.37) MAPTMAPK1HPGDPOLBSMN1; SMN2
SCHEMBL8601130 0.81 KDM4E (0.38) MAPTLMNAMAPK1HPGDPOLB
SCHEMBL8562265 0.81 MAPT (0.48) MAPTMGMTLMNAMAPK1HPGD
SCHEMBL11864642 0.79 MAPT (0.37) MAPTMGMTLMNAMAPK1HPGD
SCHEMBL8598680 0.78 MAPT (0.38) MAPTMGMTLMNAMAPK1HPGD
SCHEMBL8600860 0.78 DHFR (0.41) MAPTMGMTLMNAMAPK1HPGD
SCHEMBL8596169 0.78 MAPT (0.41) MAPTMGMTLMNAMAPK1HPGD
SCHEMBL8600230 0.78 GSK3A (0.48) MAPTLMNAMAPK1HPGDCDK5
SCHEMBL8567950 0.78 CYP3A4 (0.47) MAPTMGMTLMNAMAPK1HPGD

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