SCHEMBL2772244

SCHEMBL2772244

CC(C)(C)c1ccc(-c2csc(C3CCOCC3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
L3MBTL1 Q9Y468 4/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
CCR4 P51679 1/20 0.40
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGDS O60760 1/20 0.38
MAPK1 P28482 1/20 0.36

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
SCHEMBL2771749 0.86 CNR2 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL14320438 0.82 RAB9A (0.48) NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2775310 0.78 CNR2 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2772241 0.77 MAPT (0.43) NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2773045 0.76 NPC1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL27413117 0.73 AR (0.69) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL14755554 0.71 CCR4 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL12796840 0.71 CNR2 (0.77) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL2773193 0.71 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL13422220 0.70 HPGDS (0.52) NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2201007-A1 CANNABINOID RECEPTOR LIGANDS IPSEN PHARMA S.A.S. (FR) 2010-06-30 EP claimed
WO-2009071753-A1 CANNABINOID RECEPTOR LIGANDS IPSEN PHARMA S.A.S. (FR) 2009-06-11 WO claimed
EP-2201007-A1 CANNABINOID RECEPTOR LIGANDS IPSEN PHARMA S.A.S. (FR) 2010-06-30 EP disclosed
WO-2009071753-A1 CANNABINOID RECEPTOR LIGANDS IPSEN PHARMA S.A.S. (FR) 2009-06-11 WO disclosed