SCHEMBL9865063

SCHEMBL9865063

C=C(C(N)=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.67
SRD5A2 P31213 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
PARP15 Q460N3 3/20 0.53
PARP14 Q460N5 2/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
PARP16 Q8N5Y8 1/20 0.53
PARP11 Q9NR21 1/20 0.53
PARP4 Q9UKK3 1/20 0.53
TNKS O95271 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
HTT P42858 1/20 0.47
PGR P06401 1/20 0.46

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
Dimethylamine SCHEMBL9864604 0.93 PARP10 (0.59) PARP10SRD5A2SMN1; SMN2PARP15PARP14
SCHEMBL1162822 0.85 PARP10 (0.60) PARP10SRD5A2SMN1; SMN2PARP15PARP14
SCHEMBL4619224 0.84 AKR1C3 (0.64) PARP10PARP15PARP14KMT2ATNKS
SCHEMBL9864000 0.84 PARP10 (0.52) PARP10PARP15PARP14ALDH1A1KMT2A
SCHEMBL9864943 0.84 MMP13 (0.54) PARP10SMN1; SMN2PARP15PARP14ALDH1A1
SCHEMBL524788 0.82 MAPT (0.56) SMN1; SMN2ALDH1A1KMT2AHTT
Diphenylether SCHEMBL28021330 0.82 LTA4H (0.67) PARP10SRD5A2SMN1; SMN2KMT2A
SCHEMBL10764118 0.81 PARP10 (0.56) PARP10SRD5A2SMN1; SMN2PARP15PARP14
SCHEMBL606429 0.80 PARP10 (1.00) PARP10SRD5A2SMN1; SMN2PARP15PARP14
Terephthalamide SCHEMBL4205368 0.80 PARP10 (1.00) PARP10SRD5A2SMN1; SMN2PARP15PARP14

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-0409565-A1 Rubber composition useful for tires SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-23 EP disclosed