SCHEMBL8564976

SCHEMBL8564976

O=[N+]([O-])c1cc(C2=NCCO2)c2ccccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.39
KMT2A Q03164 11/20 0.37
MEN1 O00255 10/20 0.37
MAPT P10636 8/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
F2 P00734 1/20 0.37
C1R P00736 1/20 0.37
ALDH1A1 P00352 5/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
ELANE P08246 1/20 0.35
MAPK1 P28482 3/20 0.35
KDM4E B2RXH2 2/20 0.34
GLA P06280 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
GUSB P08236 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8567837 0.78 KMT2A (0.40) SMN1; SMN2KMT2AMEN1MAPTL3MBTL1
SCHEMBL3298254 0.73 KMT2A (0.54) SMN1; SMN2KMT2AMEN1MAPTL3MBTL1
SCHEMBL8563739 0.72 KMT2A (0.36) SMN1; SMN2KMT2AMEN1MAPTL3MBTL1
SCHEMBL8568519 0.72 LMNA (0.36) SMN1; SMN2KMT2AMEN1MAPTL3MBTL1
SCHEMBL8560848 0.72 ALDH1A1 (0.38) KMT2AMEN1MAPTL3MBTL1F2
SCHEMBL4543383 0.72 ALDH1A1 (0.47) SMN1; SMN2KMT2AMEN1MAPTL3MBTL1
SCHEMBL8855966 0.70 SMN1; SMN2 (0.55) SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL8562399 0.69 POLB (0.43) SMN1; SMN2KMT2AMEN1MAPTF2
SCHEMBL8569955 0.68 KMT2A (0.42) SMN1; SMN2KMT2AMEN1MAPTL3MBTL1
SCHEMBL3956436 0.68 NCF1 (0.51) SMN1; SMN2KMT2AMEN1MAPTALDH1A1

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 4 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
CN-1138033-A Process for produducing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1996-12-18 CN disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed