SCHEMBL13003223

SCHEMBL13003223

CCCc1ccc(N)c2c1ccn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 1/20 0.44
▸ HTR6 P50406 10/20 0.43
▸ HTR1A P08908 2/20 0.39
▸ HTR1D P28221 2/20 0.39
▸ HTR1B P28222 2/20 0.39
▸ HTR1F P30939 2/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ VEGFA P15692 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ PRTN3 P24158 1/20 0.35
▸ BRD4 O60885 1/20 0.35

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
SCHEMBL13003407 0.84 PPARG (0.43) RAPGEF4HTR6HTR1AHTR1DHTR1B
SCHEMBL15366060 0.76 RAPGEF4 (0.40) RAPGEF4HTR6CA1CA2L3MBTL1
SCHEMBL10112242 0.76 MAPT (0.39) RAPGEF4HTR6MAPTL3MBTL1CYP19A1
SCHEMBL31321849 0.73 CA1 (0.42) RAPGEF4HTR6CA1CA2L3MBTL1
SCHEMBL16337280 0.73 MEN1 (0.43) RAPGEF4HTR6MAPTCA1CA2
SCHEMBL10104096 0.72 RAPGEF4 (0.39) RAPGEF4HTR6CA1CA2L3MBTL1
SCHEMBL10112112 0.72 HTR6 (0.37) RAPGEF4HTR6HTR1AHTR1DHTR1B
SCHEMBL15366137 0.70 MAPT (0.44) RAPGEF4HTR6MAPTCA1CA2
SCHEMBL18617117 0.70 RAPGEF4 (0.55) RAPGEF4HTR6CA1CA2L3MBTL1
SCHEMBL2121064 0.70 ALDH1A1 (0.38) RAPGEF4MAPTL3MBTL1

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-2010145203-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-23 — — WO disclosed
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