SCHEMBL28034015

SCHEMBL28034015

c1ccc2c(c1)CNOCN2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR5A P47898 2/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
OXTR P30559 1/20 0.35
NPC1 O15118 2/20 0.32
AHR P35869 1/20 0.32
PDK2 Q15119 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HK1 P19367 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL30668800 0.74
SCHEMBL2041999 0.74
SCHEMBL1828551 0.74
Ammonia Solution, Strong SCHEMBL7208186 0.72
SCHEMBL57723 0.70 ALOX15 (0.43) ALOX15HSD17B10GAANPSR1HTR5A
SCHEMBL4500368 0.69 MAOB (0.39) ALOX15HSD17B10GAANPSR1OXTR
Naphthalene SCHEMBL11345152 0.69 ALOX15 (0.64) ALOX15HSD17B10GAANPSR1HTR5A
SCHEMBL29411963 0.67 ALOX15 (0.50) ALOX15HSD17B10GAANPSR1HTR5A
SCHEMBL124019 0.67 ALOX15 (0.50) ALOX15HSD17B10GAANPSR1HTR5A
SCHEMBL4502710 0.67 ALOX15 (0.41) ALOX15HSD17B10GAANPSR1HTR5A

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
CN-104961747-A Tetrahydrobenzo [ d ] [1,2,6] oxadinitrogen compound and preparation method thereof UNIV DALIAN TECH 2015-10-07 CN disclosed
CN-104961747-A Tetrahydrobenzo [ d ] [1,2,6] oxadinitrogen compound and preparation method thereof UNIV DALIAN TECH 2015-10-07 CN disclosed