SCHEMBL8597635

SCHEMBL8597635

CCCCCNc1nccc(N)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
UTS2R Q9UKP6 4/20 0.41
HTT P42858 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.41
TLR8 Q9NR97 2/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.39
HCAR3 P49019 1/20 0.39
NPC1 O15118 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
S1PR2 O95136 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL253175 0.85 L3MBTL1 (0.44) L3MBTL1UTS2RHTTSMN1; SMN2MAPK1
SCHEMBL8598011 0.78 MAPT (0.49) L3MBTL1UTS2RHTTSMN1; SMN2MAPK1
SCHEMBL8601107 0.77 NAAA (0.45) L3MBTL1HTTSMN1; SMN2MAPTLMNA
SCHEMBL8597463 0.77 HTT (0.39) L3MBTL1HTTSMN1; SMN2MAPK1MAPT
SCHEMBL25167946 0.76 LMNA (0.43) HTTSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL8597378 0.76 MEN1 (0.41) L3MBTL1HTTSMN1; SMN2MAPTLMNA
SCHEMBL7065294 0.76 CRHR1 (0.46) L3MBTL1UTS2RHTTSMN1; SMN2MAPK1
SCHEMBL28203110 0.75 MEN1 (0.40) L3MBTL1HTTSMN1; SMN2MAPTLMNA
SCHEMBL8599555 0.75 CNR1 (0.42) HTTSMN1; SMN2MAPK1MAPTLMNA
SCHEMBL8599698 0.75 KMT2A (0.43) L3MBTL1HTTSMN1; SMN2MAPTLMNA

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