SCHEMBL31043156

SCHEMBL31043156

C[C@H]1COC[C@@H](c2ccc3scnc3c2)N1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ METTL3 Q86U44 1/20 0.33
▸ PRMT5 O14744 2/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ DYRK1A Q13627 4/20 0.32
▸ CLK4 Q9HAZ1 3/20 0.32
▸ CLK1 P49759 2/20 0.32
▸ DYRK1B Q9Y463 2/20 0.32
▸ DYRK3 O43781 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ CLK3 P49761 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK2 Q92630 1/20 0.32
▸ DYRK4 Q9NR20 1/20 0.32
▸ TGFBR1 P36897 2/20 0.32
▸ CRBN Q96SW2 2/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31

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
SCHEMBL31424095 1.00 RIPK2 (0.33) RIPK2ALDH1A1HSD17B10METTL3PRMT5
SCHEMBL31043183 1.00 RIPK2 (0.33) RIPK2ALDH1A1HSD17B10METTL3PRMT5
SCHEMBL31043230 1.00 RIPK2 (0.33) RIPK2ALDH1A1HSD17B10METTL3PRMT5
SCHEMBL31017189 0.81 DYRK1A (0.35) RIPK2ALDH1A1HSD17B10PRMT5WDR77
SCHEMBL31254520 0.77 PRKACA (0.39) RIPK2ALDH1A1HSD17B10METTL3DYRK1A
SCHEMBL25324534 0.76 ALDH1A1 (0.34) RIPK2ALDH1A1HSD17B10PRMT5WDR77
SCHEMBL25324531 0.76 ALDH1A1 (0.34) RIPK2ALDH1A1HSD17B10PRMT5WDR77
SCHEMBL30522987 0.76 ALDH1A1 (0.34) RIPK2ALDH1A1HSD17B10PRMT5WDR77
SCHEMBL25327271 0.76 ALDH1A1 (0.34) RIPK2ALDH1A1HSD17B10PRMT5WDR77
SCHEMBL25913598 0.76 ALDH1A1 (0.34) RIPK2ALDH1A1HSD17B10PRMT5WDR77

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-2024160058-A1 OXALIC ACID DIAMIDE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 四川科伦博泰生物医药股份有限公司 2024-08-08 — — WO disclosed
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