SCHEMBL8524726

SCHEMBL8524726

O=c1[nH]c(-c2ccccn2)nnc1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
GAA P10253 2/20 0.53
PKM P14618 1/20 0.53
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
METAP1 P53582 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 2/20 0.42
GPR35 Q9HC97 1/20 0.41
BTK Q06187 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
OPRK1 P41145 2/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL8525364 0.83 L3MBTL1 (0.44) KMT2AGAAPKMMAPTL3MBTL1
Hydrochloric Acid SCHEMBL8523964 0.82 PDE5A (0.43) KMT2AGAAMAPTL3MBTL1KDM4E
SCHEMBL8526091 0.80 NPC1 (0.50) KMT2AMEN1GAAMAPTL3MBTL1
SCHEMBL8524721 0.78 L3MBTL1 (0.46) KMT2AMEN1GAAPKMMAPT
SCHEMBL11137884 0.72 NPC1 (0.51) KMT2AMEN1MAPTL3MBTL1KDM4E
SCHEMBL8525541 0.71 SMN1; SMN2 (0.47) KMT2AGAAPKMMAPTL3MBTL1
SCHEMBL8525159 0.70 LMNA (0.49) KMT2AMEN1GAAMAPTL3MBTL1
SCHEMBL1053453 0.70 KMT2A (0.60) KMT2AMEN1GAAMAPTL3MBTL1
SCHEMBL8314849 0.69 NPC1 (0.52) KMT2AMEN1PKMMAPTL3MBTL1
SCHEMBL27543185 0.68 POLB (0.62) KMT2AMEN1GAAPKMMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999007352-A2 METHOD FOR PROMOTING EXPRESSION OF LDL RECEPTOR GENE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-02-18 WO claimed
WO-1999007352-A2 METHOD FOR PROMOTING EXPRESSION OF LDL RECEPTOR GENE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-02-18 WO disclosed