SCHEMBL8563633

SCHEMBL8563633

COCCOc1cncc(N)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.33
PLAU P00749 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
DAPK3 O43293 1/20 0.32
PLK1 P53350 1/20 0.32
HASPIN Q8TF76 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
PLK2 Q9NYY3 1/20 0.32
IKBKB O14920 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL8596253 0.84 CYP19A1 (0.40) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30681720 0.78 NPC1 (0.46) MAPTALDH1A1NPC1RAB9ARECQL
SCHEMBL27143261 0.78 NPC1 (0.46) MAPTALDH1A1NPC1RAB9ARECQL
SCHEMBL8921703 0.78 MAPT (0.38) MAPTALDH1A1NPC1RAB9AHTT
SCHEMBL8566919 0.74 MGMT (0.53) MAPTKMT2AMEN1HTTMGMT
SCHEMBL8566254 0.73 IKBKB (0.42) MAPTALDH1A1NPC1RAB9ARECQL
SCHEMBL8566844 0.73 MEN1 (0.40) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8563438 0.72 RAB9A (0.50) MAPTALDH1A1NPC1RAB9ARECQL
SCHEMBL23352311 0.71 NPC1 (0.53) MAPTALDH1A1NPC1RAB9ARECQL
SCHEMBL22072961 0.71 MAPT (0.56) MAPTALDH1A1NPC1RAB9ARECQL

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