SCHEMBL10941237

SCHEMBL10941237

O=C(O)[C@@H]1SCCN1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PREP P48147 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.49
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
HTR2C P28335 1/20 0.46

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
SCHEMBL8160094 0.80 PREP (0.48) NPC1RAB9ASMN1; SMN2PREPL3MBTL1
SCHEMBL12248057 0.79 PREP (0.49) NPC1RAB9ASMN1; SMN2PREPL3MBTL1
SCHEMBL11311747 0.78 PREP (0.54) NPC1RAB9ASMN1; SMN2PREPCYP2C19
SCHEMBL10712232 0.77 KMT2A (0.44) NPC1RAB9ASMN1; SMN2PREPL3MBTL1
SCHEMBL10714474 0.76 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2PREPL3MBTL1
SCHEMBL5702006 0.75 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2PREPCYP2C19
SCHEMBL4668774 0.75 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2PREPCYP2C19
SCHEMBL3134513 0.75 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2PREPCYP2C19
SCHEMBL3825810 0.75 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2PREPCYP2C19
SCHEMBL3614576 0.75 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2PREPCYP2C19

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
US-8729077-B2 Anti-viral compounds, compositions, and methods of use GLAXOSMITHKLINE LLC (US) 2014-05-20 US disclosed
WO-2010062821-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-06-03 WO disclosed
US-4511390-A STIMULANT OF NUTRIENT UPTAKE IN PLANTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-16 US disclosed