SCHEMBL7900825

SCHEMBL7900825

N#CCCNC(=O)c1ccc(OCc2ccsc2)cc1O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.43
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP3 Q9Y6F1 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL7910690 0.89 PARP15 (0.44) PARP15PARP10PARP3
SCHEMBL7910883 0.86 KDM4E (0.47) PARP15PARP10PARP3MEN1NPC1
SCHEMBL7901116 0.83 PARP15 (0.43) PARP15PARP10PARP3MEN1NPC1
SCHEMBL7914363 0.81
SCHEMBL7900989 0.80 PARP15 (0.44) PARP15PARP10PARP3
SCHEMBL7908116 0.77 CA12 (0.51) PARP15PARP10PARP3NPC1
SCHEMBL7900858 0.76 PARP15 (0.51) PARP15PARP10PARP3
SCHEMBL7914316 0.76 MAOB (0.66) PARP15PARP10PARP3
SCHEMBL7901151 0.76
SCHEMBL7908921 0.76

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