SCHEMBL7907977

SCHEMBL7907977

O=C(c1ccc(OCc2ccsc2)cc1O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP3 Q9Y6F1 1/20 0.48
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOB P27338 7/20 0.46
MAOA P21397 6/20 0.46
PDK1 Q15118 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
SCHEMBL7900858 0.83 PARP15 (0.51) PARP15PARP10PARP3MAOBMAOA
SCHEMBL7914316 0.83 MAOB (0.66) PARP15PARP10PARP3MAPTHTT
SCHEMBL7908116 0.81 CA12 (0.51) PARP15PARP10PARP3MAOBMAOA
SCHEMBL7907436 0.79 PARP15 (0.47) PARP15PARP10PARP3MAOB
SCHEMBL7900989 0.77 PARP15 (0.44) PARP15PARP10PARP3MAPTHTT
SCHEMBL7910883 0.77 KDM4E (0.47) PARP15PARP10PARP3MAPTMAOB
SCHEMBL7901210 0.77 PARP15 (0.45) PARP15PARP10PARP3MAOBMAOA
SCHEMBL7900856 0.76 PARP15 (0.52) PARP15PARP10PARP3
SCHEMBL7910690 0.75 PARP15 (0.44) PARP15PARP10PARP3MAOBMAOA
SCHEMBL7908811 0.74 CA12 (0.50) PARP15PARP10PARP3MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211234-B1 BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID RHONE-POULENC RORER LIMITED (GB) 2001-04-03 US disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO disclosed