SCHEMBL11559242

SCHEMBL11559242

Nc1ccc(F)nc1Nc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 5/20 0.54
▸ HSD17B10 Q99714 3/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KMT2A Q03164 7/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ MAPT P10636 6/20 0.46
▸ HTT P42858 3/20 0.46
▸ NOD2 Q9HC29 1/20 0.46
▸ PRMT7 Q9NVM4 1/20 0.45
▸ CLK1 P49759 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ DYRK1B Q9Y463 1/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ TDO2 P48775 1/20 0.43

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
SCHEMBL11559669 0.83 ULK1 (0.51) ULK1HSD17B10ALOX15NPC1RAB9A
SCHEMBL11556220 0.78 PRMT1 (0.48) ULK1HSD17B10ALOX15NPC1RAB9A
SCHEMBL11559239 0.77 MAPK14 (0.35) ULK1
SCHEMBL30269611 0.76 CLK1 (0.53) ULK1HSD17B10ALOX15NPC1RAB9A
SCHEMBL11557056 0.76 CLK1 (0.53) ULK1HSD17B10ALOX15NPC1RAB9A
Hydrochloric Acid SCHEMBL11554953 0.75 CLK1 (0.52) ULK1HSD17B10ALOX15NPC1RAB9A
SCHEMBL378949 0.73 SMN1; SMN2 (0.62) HSD17B10ALOX15NPC1RAB9ALMNA
SCHEMBL14869453 0.72 LMNA (0.62) ULK1ALOX15NPC1RAB9ALMNA
SCHEMBL29394329 0.71 TDO2 (0.44) ULK1NPC1RAB9ALMNAKMT2A
SCHEMBL653856 0.71 SYK (0.68) ULK1

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
US-4144341-A ANTIPYRETICS, ANALGESICS AND ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1979-03-13 — — US disclosed
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