SCHEMBL13385683

SCHEMBL13385683

NC(=O)C(C(N)=O)C(CC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.56
PARP10 Q53GL7 4/20 0.56
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
SRD5A2 P31213 4/20 0.49
MMP1 P03956 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
PARP15 Q460N3 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
PARP14 Q460N5 1/20 0.44
PARP16 Q8N5Y8 1/20 0.44
PARP11 Q9NR21 1/20 0.44
PARP4 Q9UKK3 1/20 0.44
POLB P06746 1/20 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
SCHEMBL657084 0.91 PDPK1 (0.68) PDPK1PARP10ERCC5FEN1SMN1; SMN2
SCHEMBL658086 0.85 NPC1 (0.54) PDPK1PARP10ERCC5FEN1SMN1; SMN2
SCHEMBL657803 0.82 PDPK1 (0.47) PDPK1PARP10ERCC5FEN1SMN1; SMN2
SCHEMBL657370 0.79 L3MBTL1 (0.60) ERCC5FEN1SRD5A2MMP1L3MBTL1
SCHEMBL2140616 0.78 PDPK1 (0.67) PDPK1SMN1; SMN2L3MBTL1ALDH1A1KMT2A
SCHEMBL14518791 0.78 ERCC5 (0.58) PARP10ERCC5FEN1SMN1; SMN2SRD5A2
SCHEMBL24209329 0.76 ERCC5 (0.70) PARP10ERCC5FEN1SMN1; SMN2SRD5A2
SCHEMBL2141566 0.75 PDPK1 (0.78) PDPK1SMN1; SMN2L3MBTL1ALDH1A1KMT2A
SCHEMBL11021138 0.75 ERCC5 (0.55) PARP10ERCC5FEN1SMN1; SMN2SRD5A2
SCHEMBL11764935 0.75 ERCC5 (0.55) PARP10ERCC5FEN1SMN1; SMN2SRD5A2

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
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed