SCHEMBL945267

SCHEMBL945267

COc1ccc(-c2nc(-c3ccc4cc5n(c4c3)C(CC(=O)OC(C)(C)C)CC5)no2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PLAT P00750 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TPH1 P17752 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3428468 0.89 S1PR1 (0.54) S1PR1
SCHEMBL3426943 0.86 S1PR1 (0.43) S1PR1HDAC1HDAC8HDAC6
SCHEMBL946557 0.86 S1PR1 (0.48) S1PR1HDAC1HDAC8HDAC6
SCHEMBL3750093 0.85 MAPT (0.43) MAPTTP53POLBSMN1; SMN2LMNA
SCHEMBL3752423 0.85 S1PR1 (0.55) S1PR1
SCHEMBL3428752 0.84 S1PR1 (0.47) S1PR1HDAC1HDAC8HDAC6PLAT
SCHEMBL3429275 0.83 S1PR1 (0.43) S1PR1
SCHEMBL3430744 0.83 S1PR1 (0.55) S1PR1
SCHEMBL946044 0.83 S1PR1 (0.42) S1PR1HDAC1HDAC8HDAC6
SCHEMBL3429709 0.83 S1PR1 (0.54) S1PR1HDAC1HDAC8HDAC6MAPT

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-2011005290-A1 DISUBSTITUTED OXADIAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2011-01-13 WO disclosed