SCHEMBL8056322

SCHEMBL8056322

O=C(O)Cc1nc(NOC(c2ccccc2)c2ccccc2)c2nc[nH]c2n1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
CTSA P10619 2/20 0.31
SLC2A1 P11166 1/20 0.31
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
GAA P10253 1/20 0.30
PNP P00491 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GABRR1 P24046 1/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL8056330 0.84 PDE4A (0.43) SLC2A1GAAHSD17B10SYK
SCHEMBL27532524 0.81 ADORA3 (0.35) SLC2A1
Hydrochloric Acid SCHEMBL27694799 0.81 ADORA3 (0.35) SLC2A1
SCHEMBL27763562 0.73 KDM4E (0.42)
SCHEMBL8592141 0.69 CYP1A2 (0.44) GAACYP2C19HSD17B10GABRR1
SCHEMBL8768252 0.69 GABRR1 (0.40) CYP2C19HSD17B10GABRR1SYK
SCHEMBL27736777 0.65 ADORA3 (0.31)
SCHEMBL239665 0.64 ADORA2A (0.36) SLC2A1GAA
SCHEMBL6322513 0.64 ADORA2A (0.36) SLC2A1
SCHEMBL28900808 0.64 BRD4 (0.39) HSD17B10

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-1042349-A1 USING POLYAMIDE NUCLEIC ACID OLIGOMERS TO ENGENDER A BIOLOGICAL RESPONSE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2000-10-11 EP disclosed
WO-1999020643-A9 USING POLYAMIDE NUCLEIC ACID OLIGOMERS TO ENGENDER A BIOLOGICAL RESPONSE MAYO FOUNDATION (US) 1999-08-05 WO disclosed
WO-1999020643-A1 USING POLYAMIDE NUCLEIC ACID OLIGOMERS TO ENGENDER A BIOLOGICAL RESPONSE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1999-04-29 WO disclosed