SCHEMBL8564839

SCHEMBL8564839

O=[N+]([O-])c1ncccc1C1=NCCO1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PDE10A Q9Y233 1/20 0.33
S1PR4 O95977 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL8566015 0.80 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL4543383 0.77 ALDH1A1 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8922899 0.77 CYP1A2 (0.46) CYP1A2CYP2C9NPC1RAB9APOLB
SCHEMBL924608 0.76 TDP2 (0.44) CYP1A2MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL1563360 0.74 TDP2 (0.42) CYP1A2MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL8567745 0.74 MAPT (0.32) MAPT
SCHEMBL8567544 0.71 MAPT (0.36) MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL29420719 0.71 SMN1; SMN2 (0.50) SMN1; SMN2
SCHEMBL218213 0.71 SMN1; SMN2 (0.50) SMN1; SMN2
SCHEMBL29036060 0.71 TSHR (0.47) CYP1A2NPC1RAB9APOLBMEN1

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