SCHEMBL14353095

SCHEMBL14353095

C(=N/OCc1ccccc1)\c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ GRIN2D O15399 2/20 0.44
▸ GRIN3B O60391 2/20 0.44
▸ GRIN1 Q05586 2/20 0.44
▸ GRIN2A Q12879 2/20 0.44
▸ GRIN2B Q13224 2/20 0.44
▸ GRIN2C Q14957 2/20 0.44
▸ GRIN3A Q8TCU5 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ADRA2A P08913 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ MAPT P10636 3/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL14353097 1.00 NPC1 (0.55) NPC1RAB9AMEN1KMT2AGRIN2D
SCHEMBL14352893 0.80 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13351575 0.80 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13168668 0.75 KMT2A (0.45) NPC1RAB9AMEN1KMT2AGRIN2D
SCHEMBL14608982 0.75 MAPT (0.58) NPC1RAB9AMEN1KMT2AGRIN2D
SCHEMBL8546761 0.75 MAPT (0.58) NPC1RAB9AMEN1KMT2AGRIN2D
SCHEMBL30482181 0.75 MAPT (0.58) NPC1RAB9AMEN1KMT2AGRIN2D
SCHEMBL22041931 0.74 GRIN2D (0.50) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL11644489 0.74 GRIN2D (0.50) NPC1RAB9AMEN1KMT2AGRIN2D
SCHEMBL11644493 0.74 GRIN2D (0.50) NPC1RAB9AMEN1KMT2AGRIN2D

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
US-20130004979-A1 GLYCOSYLTRANSFERASE REVERSIBILITY FOR SUGAR NUCLEOTIDE SYNTHESIS AND MICROSCALE SCANNING WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-03 — — US disclosed
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