SCHEMBL31539901

SCHEMBL31539901

Cn1nc2ccc(OCC3CCC3)cc2c1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 11/20 0.51
PARP15 Q460N3 10/20 0.51
PARP2 Q9UGN5 2/20 0.51
IRAK4 Q9NWZ3 2/20 0.41
GRK2 P25098 1/20 0.41
CHEK2 O96017 3/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL31539896 0.98 PARP10 (0.51) PARP10PARP15PARP2IRAK4GRK2
SCHEMBL31539879 0.95 PARP10 (0.49) PARP10PARP15PARP2CHEK2LRRK2
SCHEMBL30714737 0.83 PARP10 (0.40) PARP10PARP15PARP2
SCHEMBL30714650 0.83 PARP10 (0.41) PARP10PARP15PARP2GRK2CHEK2
SCHEMBL30714624 0.83 CNR2 (0.40) PARP10PARP15PARP2IRAK4GRK2
SCHEMBL30714641 0.81 CNR2 (0.40) PARP10PARP15PARP2
SCHEMBL30714630 0.81 PARP10 (0.40) PARP10PARP15PARP2
SCHEMBL30714578 0.80 ACACB (0.43) PARP10PARP15PARP2
SCHEMBL30714577 0.80 PARP10 (0.39) PARP10PARP15PARP2CHEK2
SCHEMBL30714718 0.80 ACACB (0.43) PARP10PARP15PARP2

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-119968362-A Indazole derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2025-05-09 CN disclosed