SCHEMBL7900845

SCHEMBL7900845

O=C(O)c1ccc(OCc2ccccc2)cc1OCc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.51
PARP10 Q53GL7 1/20 0.51
MAOB P27338 1/20 0.51
KMT2A Q03164 2/20 0.50
MET P08581 2/20 0.50
MCL1 Q07820 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
GPR132 Q9UNW8 1/20 0.48
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
ABCB1 P08183 1/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 1/20 0.48
SLC16A3 O15427 1/20 0.47
FOLH1 Q04609 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL7908699 0.88 MAOB (0.50) PARP10MAOBKMT2AMETALDH1A1
SCHEMBL4756552 0.88 MAOB (0.63) NR4A2MAOBKMT2AMCL1ALDH1A1
SCHEMBL7914070 0.85 MAOB (0.55) NR4A2MAOBKMT2AMCL1ALDH1A1
SCHEMBL4318791 0.84 PARP10 (0.53) PARP10MAOBALDH1A1GPR132KDM4E
SCHEMBL3274391 0.83 PARP10 (0.52) PARP10MAOBALDH1A1GPR132KDM4E
Lithium SCHEMBL3274398 0.83 PARP10 (0.52) PARP10MAOBALDH1A1GPR132KDM4E
SCHEMBL1448026 0.82 MAOB (0.61) NR4A2PARP10MAOBKMT2AMCL1
SCHEMBL21924233 0.82 MAOB (0.60) NR4A2MAOBKMT2AMCL1ALDH1A1
SCHEMBL11283190 0.81 MAOB (0.59) NR4A2PARP10MAOBKMT2AMCL1
SCHEMBL2447492 0.81 ALDH1A1 (0.55) PARP10KMT2AALDH1A1ABCB1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP claimed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO claimed
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