SCHEMBL7909189

SCHEMBL7909189

COC(=O)c1ccc(OCc2ccccc2)cc1OCc1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
FFAR4 Q5NUL3 1/20 0.50
NOX1 Q9Y5S8 1/20 0.49
LRRK2 Q5S007 1/20 0.49
GPR132 Q9UNW8 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
F2 P00734 1/20 0.46

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 0.92 MAOB (0.61) MAOBFFAR4MEN1KMT2AALDH1A1
SCHEMBL7907439 0.87 MAOB (0.56) MAOBFFAR4ALDH1A1NPC1RAB9A
SCHEMBL7914070 0.87 MAOB (0.55) MAOBNOX1GPR132MEN1KMT2A
SCHEMBL21924287 0.87 MAOB (0.58) MAOBFFAR4MEN1KMT2AALDH1A1
SCHEMBL3191667 0.87 MAOB (0.58) MAOBFFAR4MEN1KMT2AALDH1A1
SCHEMBL7908699 0.87 MAOB (0.50) MAOBFFAR4GPR132MEN1KMT2A
SCHEMBL3201763 0.86 MAOB (0.57) MAOBFFAR4MEN1KMT2AALDH1A1
SCHEMBL1763456 0.86 MAOB (0.57) MAOBFFAR4MEN1KMT2AALDH1A1
SCHEMBL11557673 0.85 KDM4E (0.60) MAOBFFAR4LRRK2MEN1KMT2A
SCHEMBL7910894 0.85 FFAR4 (0.65) MAOBFFAR4KMT2ALMNA

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