SCHEMBL28650867

SCHEMBL28650867

COC(=O)NCC1COCCN1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.44
▸ POLR1A O95602 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ PDK1 Q15118 2/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ IL1B P01584 2/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ GLA P06280 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
SCHEMBL30741404 0.84 MALT1 (0.46) MALT1POLR1ATDP1ALDH1A1IL1B
SCHEMBL23866592 0.84 MALT1 (0.46) MALT1POLR1ATDP1ALDH1A1IL1B
SCHEMBL22519390 0.80 MALT1 (0.43) MALT1POLR1ATDP1ALDH1A1IL1B
SCHEMBL23866586 0.80 MALT1 (0.43) MALT1POLR1ATDP1ALDH1A1IL1B
SCHEMBL16791399 0.79 MALT1 (0.43) MALT1POLR1ATDP1ALDH1A1IL1B
SCHEMBL28650884 0.78 DRD2 (0.37) ALDH1A1KDM4EHSD17B10
SCHEMBL7911361 0.78 GLA (0.41) MALT1TDP1ALDH1A1PDK1PDK2
SCHEMBL28645032 0.76 DRD2 (0.43) ALDH1A1
SCHEMBL22010188 0.74 MALT1 (0.37) MALT1POLR1APDK1PDK2PDK3
SCHEMBL21610612 0.74 MALT1 (0.37) MALT1POLR1APDK1PDK2PDK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113631538-A Novel potassium channel inhibitors 萨尼奥纳有限责任公司 2021-11-09 — — CN claimed
CN-113631538-B Novel potassium channel inhibitors 萨尼奥纳有限责任公司 2024-05-31 — — CN disclosed
CN-113631538-A Novel potassium channel inhibitors 萨尼奥纳有限责任公司 2021-11-09 — — CN disclosed
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