SCHEMBL3265992

SCHEMBL3265992

CCCCCCCc1nc(-c2ccc(OC)cc2)no1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.73
HDAC1 Q13547 3/20 0.67
HDAC2 Q92769 2/20 0.65
HDAC8 Q9BY41 1/20 0.65
L3MBTL1 Q9Y468 6/20 0.64
MAPT P10636 3/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
LMNA P02545 3/20 0.62
ATM Q13315 1/20 0.62
TDP1 Q9NUW8 3/20 0.58
HTT P42858 2/20 0.58
PPARA Q07869 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
TSHR P16473 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL7952282 0.88 SIRT2 (0.72) SIRT2HDAC1HDAC2HDAC8L3MBTL1
SCHEMBL13926724 0.88 ACACB (0.65) SIRT2HDAC1HDAC2HDAC8L3MBTL1
SCHEMBL7296066 0.84 SIRT2 (0.75) SIRT2HDAC1HDAC2HDAC8L3MBTL1
SCHEMBL27619410 0.83 PPARA (0.59) SIRT2HDAC1HDAC2HDAC8L3MBTL1
SCHEMBL3264894 0.83 SPHK1 (0.67) SIRT2L3MBTL1MAPTNPC1RAB9A
SCHEMBL7148635 0.81 SIRT2 (0.70) SIRT2HDAC1HDAC2HDAC8L3MBTL1
SCHEMBL1312134 0.81 SPHK1 (0.64) SIRT2L3MBTL1NPC1RAB9AATM
SCHEMBL1314770 0.81 SPHK1 (0.64) SIRT2L3MBTL1NPC1RAB9AATM
SCHEMBL1311624 0.81 SPHK1 (0.64) SIRT2HDAC1HDAC2HDAC8L3MBTL1
SCHEMBL1312757 0.81 SPHK1 (0.64) SIRT2L3MBTL1NPC1RAB9AATM

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
WO-2010033701-A2 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION (US) 2010-03-25 WO disclosed