SCHEMBL7908699

SCHEMBL7908699

COC(=O)c1ccc(OCc2ccccc2)cc1OCc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
KMT2A Q03164 3/20 0.49
MET P08581 2/20 0.49
SYK P43405 3/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GPR132 Q9UNW8 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
AURKB Q96GD4 2/20 0.47
INCENP Q9NQS7 2/20 0.47
PARP10 Q53GL7 1/20 0.47
ALOX5AP P20292 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 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
SCHEMBL3962253 0.89 MAOB (0.61) MAOBKMT2AMEN1ALDH1A1FFAR4
SCHEMBL7900845 0.88 NR4A2 (0.51) MAOBKMT2AMETMEN1ALDH1A1
SCHEMBL7909189 0.87 MAOB (0.53) MAOBKMT2AMEN1ALDH1A1GPR132
SCHEMBL3191667 0.86 MAOB (0.58) MAOBKMT2AMEN1ALDH1A1FFAR4
SCHEMBL7907439 0.84 MAOB (0.56) MAOBALDH1A1FFAR4KDM4ENPC1
SCHEMBL21924287 0.84 MAOB (0.58) MAOBKMT2AMEN1ALDH1A1FFAR4
SCHEMBL16485525 0.83 PARP10 (0.54) KMT2ASYKMEN1ALDH1A1AURKB
SCHEMBL1763456 0.83 MAOB (0.57) MAOBKMT2AMEN1ALDH1A1FFAR4
SCHEMBL3201763 0.83 MAOB (0.57) MAOBKMT2AMEN1ALDH1A1FFAR4
SCHEMBL11557673 0.82 KDM4E (0.60) MAOBKMT2AMEN1FFAR4KDM4E

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