SCHEMBL28128705

SCHEMBL28128705

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.67
PARP15 Q460N3 3/20 0.53
PARP14 Q460N5 2/20 0.53
TNKS O95271 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
CTNNB1 P35222 1/20 0.51
TTR P02766 2/20 0.49
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
PARP16 Q8N5Y8 1/20 0.47
PARP11 Q9NR21 1/20 0.47
PARP4 Q9UKK3 1/20 0.47
CHEK2 O96017 2/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FEN1 P39748 1/20 0.44
RHEB Q15382 1/20 0.44
PARP1 P09874 2/20 0.44

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
SCHEMBL30289581 0.87 PARP10 (0.67) PARP10PARP15PARP14TNKSTNKS2
SCHEMBL3643463 0.87 PARP10 (0.67) PARP10PARP15PARP14TNKSTNKS2
SCHEMBL979843 0.87 TTR (0.64) PARP10TTRLMNASMN1; SMN2L3MBTL1
SCHEMBL9539594 0.87 PARP10 (0.53) PARP10TTRLMNASMN1; SMN2L3MBTL1
SCHEMBL10703394 0.85 PARP10 (0.51) PARP10TTRLMNASMN1; SMN2L3MBTL1
SCHEMBL10487356 0.84 PARP10 (0.50) PARP10TTRLMNASMN1; SMN2L3MBTL1
SCHEMBL11700754 0.82 PARP10 (0.61) PARP10PARP15PARP14TNKSTNKS2
SCHEMBL8848427 0.81 CES1 (0.49) PARP10TTRLMNASMN1; SMN2L3MBTL1
SCHEMBL29174197 0.81 TTR (0.54) PARP10TTRALDH1A1KMT2ALMNA
SCHEMBL21697477 0.80 PARP10 (0.54) PARP10PARP15PARP14TNKSTNKS2

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-104610140-B 3-amine acylhydrazone derivative, preparation method and application of 3-amine acylhydrazone derivative 青岛农业大学 2017-01-25 CN disclosed