SCHEMBL28199810

SCHEMBL28199810

[CH2]c1ccc2nn(CC)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 1/20 0.35
MAT2A P31153 1/20 0.35
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOTUM Q6P988 1/20 0.33
MLLT1 Q03111 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
COMT P21964 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
HDAC2 Q92769 1/20 0.31
RECQL P46063 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
SCHEMBL24930547 0.80 CYP1A2 (0.41) SLC5A2HTTSMN1; SMN2NOTUMKDM4E
SCHEMBL29141451 0.79 SLC5A2 (0.35) SLC5A2MAT2AHTTSMN1; SMN2NOTUM
SCHEMBL1637329 0.79 HDAC8 (0.39) SLC5A2MAT2AHTTSMN1; SMN2NOTUM
SCHEMBL188317 0.79 KDM4E (0.43) SLC5A2MAT2AHTTSMN1; SMN2KDM4E
SCHEMBL21191965 0.79 NPC1 (0.40) SLC5A2MAT2AHTTNOTUMKDM4E
SCHEMBL904601 0.76 SLC5A2 (0.41) SLC5A2MAT2AHTTSMN1; SMN2NOTUM
SCHEMBL904586 0.76 SLC5A2 (0.46) SLC5A2MAT2AHTTSMN1; SMN2NOTUM
SCHEMBL22020836 0.76 NPC1 (0.38) SLC5A2MAT2AHTTSMN1; SMN2NOTUM
SCHEMBL906893 0.76 SLC5A2 (0.34) SLC5A2MAT2AHTTSMN1; SMN2NOTUM
SCHEMBL23498045 0.75 HDAC6 (0.41) SLC5A2MAT2AHTTSMN1; SMN2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709315-A The inhibitor of bruton's tyrosine kinase 药品循环有限责任公司 2018-02-16 CN disclosed