SCHEMBL7706911

SCHEMBL7706911

NC(=O)c1cc[c]c(-c2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 8/20 0.57
PARP15 Q460N3 3/20 0.51
PARP14 Q460N5 2/20 0.51
TNKS O95271 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
CHEK2 O96017 5/20 0.49
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
PARP16 Q8N5Y8 1/20 0.46
PARP11 Q9NR21 1/20 0.46
PARP4 Q9UKK3 1/20 0.46
SCN9A Q15858 1/20 0.42
GSTP1 P09211 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TNK2 Q07912 1/20 0.41
SCN4A P35499 1/20 0.41
SRD5A2 P31213 1/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL8529939 0.78 GSTP1 (0.47) ALDH1A1KMT2AGSTP1SMN1; SMN2SCN4A
SCHEMBL7703865 0.75 GSTP1 (0.44) KMT2AGSTP1SCN4A
SCHEMBL8531642 0.74 GSTP1 (0.43) KMT2AGSTP1SMN1; SMN2
SCHEMBL8532142 0.74 GSTP1 (0.43) ALDH1A1GSTP1SMN1; SMN2SCN4A
SCHEMBL8531965 0.74 HSP90AA1 (0.50) ALDH1A1SMN1; SMN2
Terephthalamide SCHEMBL4205368 0.74 PARP10 (1.00) PARP10PARP15PARP14TNKSTNKS2
SCHEMBL606429 0.74 PARP10 (1.00) PARP10PARP15PARP14TNKSTNKS2
SCHEMBL2531295 0.73 PARP10 (0.83) PARP10PARP15PARP14TNKSTNKS2
SCHEMBL30434552 0.73 PARP10 (0.83) PARP10PARP15PARP14TNKSTNKS2
SCHEMBL7703136 0.73 LTA4H (0.46) ALDH1A1KMT2AGSTP1SMN1; SMN2AKR1C3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216285-A1 FLUORESCENT MALEIMIDES AND USES THEREOF Ciba SC Holding AG (CH) 2002-06-26 EP disclosed
WO-2001019939-A1 FLUORESCENT MALEIMIDES AND USES THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-03-22 WO disclosed