SCHEMBL8568534

SCHEMBL8568534

Nc1cnc([N+](=O)[O-])c(Cc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.37
MGMT P16455 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RIPK1 Q13546 1/20 0.36
AOC3 Q16853 1/20 0.36
LMNA P02545 1/20 0.36
PIN1 Q13526 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 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
SCHEMBL4619552 0.77 KMT2A (0.53) CYP19A1CYP11B1CYP11B2MAPTMGMT
SCHEMBL8569178 0.76 ALDH1A1 (0.37) MAPTHTTPOLBLMNA
SCHEMBL8569474 0.76 HTT (0.49) MAPTHTTPOLBSMN1; SMN2LMNA
SCHEMBL8561788 0.76 ALDH1A1 (0.47) MAPTPOLBSMN1; SMN2LMNANPC1
SCHEMBL7116983 0.75 KMT2A (0.50) CYP19A1CYP11B1CYP11B2MAPTSMN1; SMN2
SCHEMBL8559950 0.75 ALDH1A1 (0.39) MAPTHTTPOLBSMN1; SMN2LMNA
SCHEMBL8562052 0.75 ALDH1A1 (0.50) MAPTHTTSMN1; SMN2LMNANPC1
SCHEMBL8566712 0.75 CYP19A1 (0.43) CYP19A1CYP11B1CYP11B2MAPTHTT
SCHEMBL8596319 0.74 ALDH1A1 (0.32) MAPTHTTPOLB
SCHEMBL8568330 0.73 PIN1 (0.44) CYP19A1CYP11B1CYP11B2MAPTPIN1

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