SCHEMBL8600948

SCHEMBL8600948

C=CCNc1cccnc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
HCAR3 P49019 1/20 0.44
RRM2 P31350 1/20 0.43
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
LMNA P02545 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
GAA P10253 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
SCHEMBL9638600 0.82 MAPT (0.38) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL8596102 0.82 HCAR3 (0.42) MAPTALDH1A1HTTHCAR3RRM2
SCHEMBL2483154 0.80 SMN1; SMN2 (0.46) MAPTALDH1A1HTTHCAR3KMT2A
SCHEMBL7697934 0.77 MAPT (0.59) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL8568520 0.76 BACE1 (0.56) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL8600198 0.76 MAPT (0.58) MAPTALDH1A1HTTHCAR3KMT2A
SCHEMBL19897482 0.75 MAPT (0.46) MAPTALDH1A1HCAR3KMT2AL3MBTL1
SCHEMBL8597357 0.74 ALDH1A1 (0.39) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL8600033 0.74 HPGD (0.50) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL1344661 0.74 HCAR3 (0.58) MAPTALDH1A1HTTHCAR3KMT2A

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