SCHEMBL21697477

SCHEMBL21697477

NC(=O)c1ccc(C(F)(F)F)c(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.54
PARP15 Q460N3 3/20 0.49
PARP14 Q460N5 2/20 0.49
TNKS O95271 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
CTNNB1 P35222 1/20 0.47
MAOB P27338 1/20 0.47
TTR P02766 2/20 0.46
CHEK2 O96017 3/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP16 Q8N5Y8 1/20 0.43
PARP11 Q9NR21 1/20 0.43
PARP4 Q9UKK3 1/20 0.43
SCN9A Q15858 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42

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
SCHEMBL28128705 0.80 PARP10 (0.67) PARP10PARP15PARP14TNKSTNKS2
SCHEMBL11700754 0.78 PARP10 (0.61) PARP10PARP15PARP14TNKSTNKS2
SCHEMBL21697489 0.78 PARP10 (0.45) PARP10MAOBCHEK2SLC6A2SLC6A4
SCHEMBL30289581 0.77 PARP10 (0.67) PARP10PARP15PARP14TNKSTNKS2
SCHEMBL1029516 0.76 CAMK2A (0.50) TTR
SCHEMBL8059639 0.76 TTR (0.62) TTRSCN9ARXRARXRBRXRG
SCHEMBL11702647 0.75 PARP10 (0.61) PARP10PARP15PARP14TNKSTNKS2
SCHEMBL21697483 0.75 PARP10 (0.56) PARP10PARP15PARP14TNKSTNKS2
SCHEMBL8923163 0.75 RXRA (0.47) PARP10PARP15TTRRXRARXRB
SCHEMBL21244290 0.74 SCN8A (0.57) PARP10CTNNB1KMT2AKDM4EMAPT

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-3607944-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR Kyoto Pharmaceutical Industries, Ltd. (JP) 2020-02-12 EP disclosed