SCHEMBL3255164

SCHEMBL3255164

CCCCCCCc1nc(-c2ccccc2C(N)CC)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.48
ATM Q13315 2/20 0.44
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SPHK1 Q9NYA1 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR2 O95136 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL1325131 0.78 SPHK1 (0.54) PPARAATMHDAC1HDAC2HDAC8
SCHEMBL97644 0.75 PPARA (0.50) PPARAATMHDAC1HDAC2HDAC8
SCHEMBL97645 0.75 PPARA (0.50) PPARAATMHDAC1HDAC2HDAC8
SCHEMBL95287 0.73 PPARA (0.47) PPARAATMHDAC1HDAC2HDAC8
SCHEMBL95288 0.72 NOTUM (0.50) PPARAATMHDAC1HDAC2HDAC8
SCHEMBL1325065 0.71 SPHK1 (0.55) PPARAATMHDAC1HDAC2HDAC8
SCHEMBL3265321 0.71 SPHK1 (0.55) PPARAATMHDAC1HDAC2HDAC8
SCHEMBL1325717 0.71 SPHK1 (0.55) PPARAATMHDAC1HDAC2HDAC8
SCHEMBL12380049 0.70 NPC1 (0.69) PPARATSHRMEN1HTTKMT2A
SCHEMBL12121023 0.69 SPHK1 (0.54) PPARAATMHDAC1HDAC2HDAC8

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