SCHEMBL26003508

SCHEMBL26003508

CNC(=O)C(CCC=O)N1CCc2ccc(C)cc2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.35
▸ NAMPT P43490 2/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ DPP8 Q6V1X1 2/20 0.34
▸ DPP9 Q86TI2 2/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ TAS1R2 Q8TE23 1/20 0.33
▸ KRAS P01116 1/20 0.33

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
SCHEMBL25997931 0.90 KRAS (0.36) AKR1C3NAMPTSCN9APRMT5WDR77
SCHEMBL19370918 0.88 SCN9A (0.39) AKR1C3NAMPTSCN9ANOTUMKCNH2
SCHEMBL19370702 0.84 ESR2 (0.41) —
SCHEMBL19370652 0.83 HSD17B3 (0.37) NAMPTMEN1KMT2ARAB9ANPC1
SCHEMBL19370821 0.82 ESR1 (0.44) AKR1C3NAMPTSCN9APRMT5NOTUM
SCHEMBL26022857 0.78 KRAS (0.33) AKR1C3DPP8DPP9DPP7KRAS
SCHEMBL19370874 0.77 NOTUM (0.39) NAMPTNOTUMMEN1KMT2ATAS1R3
SCHEMBL25993234 0.76 THRB (0.44) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL25993259 0.75 THRB (0.33) NAMPT
SCHEMBL27113705 0.72 MMP1 (0.33) DPP9

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
EP-3820573-B1 3-(5-HYDROXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF IKAROS FAMILY ZINC FINGER 2 (IKZF2)-DEPENDENT DISEASES NOVARTIS AG (CH) 2023-08-09 — — EP disclosed
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