SCHEMBL3723682

SCHEMBL3723682

Cc1[nH]c(COP(=O)(O)O)c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)c(=O)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.37
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
SCN10A Q9Y5Y9 5/20 0.35
KCNH2 Q12809 2/20 0.35
SCN2A Q99250 2/20 0.35
MAT2A P31153 1/20 0.34
PTGES O14684 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL13049103 0.87 SCN10A (0.37) DGAT1S1PR1S1PR3SCN10ASCN2A
SCHEMBL13049774 0.87 DGAT1 (0.40) DGAT1SCN10AKCNH2SCN2AMAT2A
SCHEMBL3711185 0.87 SLC2A1 (0.38) S1PR1S1PR3
SCHEMBL3718102 0.86 SLC2A1 (0.38) S1PR1S1PR3
SCHEMBL3716508 0.86 SLC2A1 (0.38) S1PR1S1PR3
SCHEMBL3713064 0.86 SLC2A1 (0.38) S1PR1S1PR3
SCHEMBL4490712 0.83 SLC2A1 (0.40) DGAT1SCN10AKCNH2SCN2AMAT2A
Hydrochloric Acid SCHEMBL4489660 0.82 DGAT1 (0.39) DGAT1SCN10AKCNH2SCN2AMAT2A
Tromethamine SCHEMBL3709545 0.81 S1PR1 (0.42) S1PR1S1PR3
SCHEMBL3717418 0.80 DGAT1 (0.39) DGAT1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010142741-A1 PHENYLPYRIDYLPYRIDONES FOR USE AS ANTIMALARIAL AGENTS GLAXO GROUP LIMITED (GB) 2010-12-16 WO claimed
WO-2010142741-A1 PHENYLPYRIDYLPYRIDONES FOR USE AS ANTIMALARIAL AGENTS GLAXO GROUP LIMITED (GB) 2010-12-16 WO disclosed
WO-2010142741-A1 PHENYLPYRIDYLPYRIDONES FOR USE AS ANTIMALARIAL AGENTS GLAXO GROUP LIMITED (GB) 2010-12-16 WO disclosed