SCHEMBL28108469

SCHEMBL28108469

COC(=O)c1ccc2cccc3c2c1C(=O)NC3=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.51
▸ MAPT P10636 4/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ PTK2B Q14289 1/20 0.48
▸ NCOA1 Q15788 1/20 0.48
▸ NCOA3 Q9Y6Q9 1/20 0.48
▸ GSK3B P49841 2/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ CCND1 P24385 1/20 0.44
▸ PDK2 Q15119 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 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
SCHEMBL1052126 0.84 PARP1 (0.56) PARP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2424940 0.82 KDM4E (0.54) MAPTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL3257586 0.80 PARP1 (0.54) PARP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL28900877 0.79 PARP1 (0.53) PARP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL28678417 0.77 PARP1 (0.58) PARP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL21450709 0.74 PARP1 (0.63) PARP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1756367 0.74 PARP1 (0.63) PARP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1029436 0.73 PARP1 (0.53) PARP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11316606 0.73 KDM4E (0.63) MAPTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL789453 0.73 PARP1 (0.61) PARP1MAPTMEN1KMT2ASMN1; SMN2

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
CN-106133984-A Addition agent of non-aqueous electrolyte, nonaqueous electrolytic solution and electrical storage device 住友精化株式会社 2016-11-16 — — CN disclosed
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