SCHEMBL8410810

SCHEMBL8410810

O=C1C=C(c2cccc3c2Cc2ccccc2-3)C(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ CASP9 P55211 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ CASP8 Q14790 1/20 0.45
▸ MAP3K14 Q99558 1/20 0.45
▸ PNMT P11086 1/20 0.41
▸ MAP3K9 P80192 3/20 0.41
▸ MAP3K11 Q16584 3/20 0.41
▸ HTR7 P34969 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAOA P21397 1/20 0.39
▸ BCHE P06276 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ PGR P06401 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 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
SCHEMBL27664385 0.77 GSK3B (0.50) TDP2CASP3CASP7CASP9CASP6
SCHEMBL121405 0.77 GSK3B (0.50) TDP2CASP3CASP7CASP9CASP6
SCHEMBL8410815 0.76 TDP2 (0.47) TDP2CASP3CASP7CASP9CASP6
SCHEMBL11120799 0.75 GSK3B (0.48) TDP2CASP3CASP7CASP9CASP6
SCHEMBL524602 0.75 PNMT (0.63) TDP2CASP3CASP7CASP9CASP6
SCHEMBL30103334 0.75 PNMT (0.63) TDP2CASP3CASP7CASP9CASP6
SCHEMBL1050913 0.74 GSK3B (0.41) TDP2CASP3CASP7CASP9CASP6
SCHEMBL2877998 0.73 PNMT (0.61) TDP2CASP3CASP7CASP9CASP6
SCHEMBL17025667 0.72 PARP1 (0.34) TDP2GSK3BPARP1PARP10PARP11
SCHEMBL29011874 0.71 GSK3B (0.40) TDP2CASP3CASP7CASP9CASP6

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
JP-10332695-A — — None — — JP disclosed
US-5965746-A REACTING AN AMINO GROUP-CONTAINING N-CYCLIC COMPOUND WITH MALEIC ANHYDRIDE IN ACETIC ACID TO OBTAIN AN N-CYCLIC MALEAMIC ACID, ADDING HEXAMETHYLDISILAZANE, CYCLIZING TO FORM N-CYCLIC MALEIMIDE, USE AS A FLUORESCENT DYES AISIN SEIKI KABUSHIKI KAISHA (JP) 1999-10-12 — — US disclosed
JP-H10332695-A DETECTION OF NUCLEIC ACID, PROTEIN, OR THE LIKE AISIN SEIKI CO LTD 1998-12-18 — — JP disclosed
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