SCHEMBL18239408

SCHEMBL18239408

Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(B3OC(C)(C)C(C)(C)O3)cc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.42
LIPG Q9Y5X9 6/20 0.42
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 4/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
P4HB P07237 1/20 0.33
ROCK1 Q13464 1/20 0.33
PLA2G4A P47712 1/20 0.32
LTB4R Q15722 1/20 0.32
EGFR P00533 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL20186942 0.77 LPL (0.39) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL29856116 0.77 LPL (0.39) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL20186944 0.77 LIPG (0.41) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL24450016 0.72 HIF1A (0.38) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL30153711 0.72 LIPG (0.50) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL4825950 0.72 LIPG (0.50) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL14822525 0.69 LPL (0.44) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL31153 0.69 GPR3 (0.48) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL21816655 0.69 IRAK4 (0.41) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL22923019 0.69 LPL (0.46) LPLLIPGIRAK4PRMT5WDR77

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-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO disclosed