SCHEMBL7909166

SCHEMBL7909166

O=Cc1ccc(OCc2ccsc2)cc1O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
PARP15 Q460N3 1/20 0.52
PARP10 Q53GL7 1/20 0.52
PARP3 Q9Y6F1 1/20 0.52
TRIM24 O15164 1/20 0.50
TYR P14679 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
HPGD P15428 1/20 0.45
TUBB1 Q9H4B7 1/20 0.43

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
SCHEMBL4973494 0.84 PARP15 (0.51) POLBMAPTPARP15PARP10PARP3
SCHEMBL435353 0.79 POLB (0.67) POLBMAPTTRIM24TYRTRIM33
SCHEMBL8133415 0.78 PARP15 (0.43) PARP15PARP10PARP3TUBB1
SCHEMBL7900856 0.78 PARP15 (0.52) PARP15PARP10PARP3HPGD
SCHEMBL509913 0.77 HPGD (0.60) MAPTPARP15PARP10PARP3HPGD
SCHEMBL7914222 0.77 PARP15 (0.43) PARP15PARP10PARP3HPGD
SCHEMBL31166996 0.77 TRIM24 (0.71) POLBMAPTTRIM24TYRTRIM33
SCHEMBL26036584 0.77 APP (0.58) POLBMAPTTRIM24TYRTRIM33
SCHEMBL1923438 0.77 MAOB (0.59) POLBMAPTTRIM24TYRTRIM33
SCHEMBL7914316 0.76 MAOB (0.66) MAPTPARP15PARP10PARP3HPGD

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 8 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
US-6124343-A Substituted phenyl compounds with a substituent having a thienyl ring RHONE-POULENC RORER LIMITED (GB) 2000-09-26 US disclosed
EP-0805802-B1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE POULENC RORER LTD (GB) 2000-08-16 EP disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP disclosed
EP-0805802-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE-POULENC RORER LIMITED (GB) 1997-11-12 EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP disclosed
WO-1996022978-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE POULENC RORER LIMITED (GB) 1996-08-01 WO disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO disclosed