SCHEMBL8560385

SCHEMBL8560385

COCCOc1cc(N)ncc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
RECQL P46063 2/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PRSS1 P07477 3/20 0.39
HTT P42858 1/20 0.39
CHEK1 O14757 1/20 0.38
HPGD P15428 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL8597281 0.85 SMN1; SMN2 (0.47) ALDH1A1MAPTNPC1RAB9ARECQL
SCHEMBL25257796 0.84 NPC1 (0.42) ALDH1A1MAPTNPC1RAB9ARECQL
SCHEMBL9327435 0.83 MAPT (0.49) ALDH1A1MAPTNPC1RAB9ARECQL
SCHEMBL29179660 0.83 HTT (0.45) ALDH1A1MAPTRAB9ALMNASMN1; SMN2
SCHEMBL8564571 0.79 MAPT (0.43) ALDH1A1MAPTRAB9ALMNAHTT
SCHEMBL31327471 0.79 LMNA (0.51) ALDH1A1MAPTNPC1RAB9ARECQL
SCHEMBL11596026 0.79 ALDH1A1 (0.48) ALDH1A1MAPTNPC1RAB9ARECQL
SCHEMBL26087355 0.78 CHEK1 (0.43) ALDH1A1MAPTNPC1RAB9ARECQL
SCHEMBL5512119 0.78 RECQL (0.50) ALDH1A1MAPTNPC1RAB9ARECQL
SCHEMBL22072961 0.77 MAPT (0.56) ALDH1A1MAPTNPC1RAB9ARECQL

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