SCHEMBL7900989

SCHEMBL7900989

COC(=O)CNC(=O)c1ccc(OCc2ccsc2)cc1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP3 Q9Y6F1 1/20 0.44
MAOB P27338 4/20 0.43
MAOA P21397 3/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ADAM17 P78536 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
VEGFA P15692 1/20 0.40
FLT1 P17948 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7901116 0.90 PARP15 (0.43) PARP15PARP10PARP3MAOBMAOA
SCHEMBL7910690 0.84 PARP15 (0.44) PARP15PARP10PARP3MAOBMAOA
SCHEMBL7901210 0.84 PARP15 (0.45) PARP15PARP10PARP3MAOBMAOA
SCHEMBL7910883 0.84 KDM4E (0.47) PARP15PARP10PARP3MAOBMAOA
SCHEMBL7908116 0.83 CA12 (0.51) PARP15PARP10PARP3MAOBMAOA
SCHEMBL7900853 0.81 LTA4H (0.38) PARP15PARP10PARP3MMP1MMP9
SCHEMBL7914316 0.80 MAOB (0.66) PARP15PARP10PARP3MAOBMAOA
SCHEMBL7900825 0.80 GUSB (0.43) PARP15PARP10PARP3
SCHEMBL7900858 0.78 PARP15 (0.51) PARP15PARP10PARP3MAOBMAOA
SCHEMBL7907977 0.77 PARP15 (0.48) 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