SCHEMBL16795194

SCHEMBL16795194

Oc1ccc(Cl)cc1CNC1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.65
▸ SLC2A1 P11166 1/20 0.58
▸ POLB P06746 2/20 0.54
▸ HTT P42858 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ HIF1A Q16665 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ ALOX12 P18054 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ SLC22A1 O15245 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HSPD1 P10809 1/20 0.50
▸ HSPA5 P11021 1/20 0.50
▸ IDO1 P14902 1/20 0.50
▸ CASP1 P29466 1/20 0.50

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
SCHEMBL16795365 0.87 PABPC1 (0.65) PABPC1SLC2A1POLBHTTHPGD
SCHEMBL29852256 0.82 PABPC1 (0.72) PABPC1SLC2A1HTTHPGDHIF1A
SCHEMBL21945698 0.79 PABPC1 (1.00) PABPC1SLC2A1HTTHPGDHIF1A
SCHEMBL11667911 0.77 POLB (0.54) PABPC1POLBHTTHPGDMEN1
SCHEMBL11782294 0.77 MEN1 (0.64) POLBHTTMEN1MAPTKMT2A
SCHEMBL15535482 0.76 PABPC1 (0.58) PABPC1SLC2A1POLBHTTHPGD
SCHEMBL1039759 0.76 BCHE (0.50) PABPC1POLBHTTHPGDMEN1
SCHEMBL28319065 0.76 CYP2D6 (0.67) PABPC1SLC2A1HTTHPGDHIF1A
SCHEMBL14826626 0.75 KDM4E (0.41) PABPC1SLC2A1POLBHTTHPGD
SCHEMBL3862346 0.75 PABPC1 (0.66) PABPC1SLC2A1HTTHPGDHIF1A

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-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 — — WO disclosed
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