SCHEMBL21697489

SCHEMBL21697489

CCOCCOc1ccc(Oc2cc(C(N)=O)ccc2C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
MAOB P27338 3/20 0.44
THRA P10827 1/20 0.44
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK8 P45983 2/20 0.41
MAPK10 P53779 2/20 0.41
CHEK2 O96017 2/20 0.41
MMP14 P50281 2/20 0.40
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP13 P45452 1/20 0.39
POLB P06746 1/20 0.39
CASP6 P55212 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
SCHEMBL17899401 0.87 SLC6A2 (0.41) PARP10SLC6A2SLC6A4MAOBMAPK1
SCHEMBL3017507 0.78 PARP10 (0.71) PARP10THRAMAPTMMP14L3MBTL1
SCHEMBL17899375 0.78 CHEK2 (0.39) PARP10SLC6A2SLC6A4MAOBMAPT
SCHEMBL21697477 0.78 PARP10 (0.54) PARP10SLC6A2SLC6A4MAOBMAPT
SCHEMBL3014872 0.77 PARP10 (0.69) PARP10THRAMAPTMMP14L3MBTL1
SCHEMBL17899369 0.72 SLC6A2 (0.38) PARP10SLC6A2SLC6A4MAPTKDM4E
SCHEMBL6135839 0.71 THRA (0.49) SLC6A2SLC6A4MAOBTHRAMAPK1
SCHEMBL10352175 0.71 NCF1 (0.50) THRAMAPK1MAPTKDM4ELMNA
SCHEMBL6302583 0.71 KMT2A (0.60) PARP10MAPK1MAPTKDM4ELMNA
SCHEMBL3649917 0.70 PARP10 (0.58) PARP10SLC6A2SLC6A4MAOBMAPK1

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