SCHEMBL29360469

SCHEMBL29360469

[2H]C1c2cc(N)ccc2N(C(C)=O)C1[2H]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 4/20 0.52
▸ NOTUM Q6P988 7/20 0.42
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ ATAD2 Q6PL18 2/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ FSHR P23945 1/20 0.36
▸ AVPR2 P30518 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ YWHAG P61981 1/20 0.36

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
SCHEMBL615232 0.78 NOTUM (0.69) HSD17B3NOTUMKDM4EMAPT
SCHEMBL29359963 0.77 NOTUM (0.59) HSD17B3NOTUMMEN1KMT2A
SCHEMBL7416330 0.75 NOTUM (0.62) HSD17B3NOTUMPDK1PDK2PDK3
SCHEMBL29360258 0.70 DRD2 (0.46) —
SCHEMBL2061420 0.69 HSD17B3 (0.49) HSD17B3NOTUMATAD2KDM4EMEN1
SCHEMBL7416927 0.69 NOTUM (0.62) HSD17B3NOTUMKDM4EMEN1MAPT
SCHEMBL4798305 0.69 HSD17B3 (1.00) HSD17B3NOTUM
SCHEMBL399536 0.68 NOTUM (0.67) HSD17B3NOTUMATAD2BRD4KDM4E
SCHEMBL30340506 0.68 NOTUM (0.67) HSD17B3NOTUMATAD2BRD4KDM4E
SCHEMBL7749897 0.68 ADRB2 (0.54) HSD17B3NOTUMPDK1PDK2PDK3

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-2022016690-A1 LUCIFERASE SUBSTRATES, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 山东大学 2022-01-27 — — WO disclosed
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