SCHEMBL8119481

SCHEMBL8119481

N#Cc1ccc(OCc2cccnc2)cc1O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.54
CYP11B1 P15538 1/20 0.48
CYP19A1 P11511 3/20 0.48
F9 P00740 1/20 0.47
F10 P00742 1/20 0.47
GPR132 Q9UNW8 3/20 0.46
MAPK1 P28482 1/20 0.45
ALK Q9UM73 1/20 0.45
MAOA P21397 2/20 0.45
DYRK1A Q13627 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.44

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
SCHEMBL7911248 0.85 MAOB (0.52) MAOBCYP11B1CYP19A1F9F10
SCHEMBL4260225 0.83 MAOB (0.77) MAOBMAOAMRGPRX4
SCHEMBL8133729 0.81 CYP19A1 (0.47) MAOBCYP19A1GPR132MRGPRX4
SCHEMBL8807332 0.78 CYP19A1 (0.52) CYP11B1CYP19A1GPR132MRGPRX4
SCHEMBL28048524 0.77 MAPK1 (0.64) CYP11B1CYP19A1F9F10GPR132
SCHEMBL22964344 0.77 MAPK1 (0.58) F9F10GPR132MAPK1
SCHEMBL8119668 0.76
SCHEMBL28011530 0.76 MAPK1 (0.64) MAOBF9F10GPR132MAPK1
SCHEMBL8131362 0.76 POLB (0.58) CYP11B1CYP19A1F9F10GPR132
SCHEMBL7900710 0.75 MAOB (0.71) MAOBGPR132MAPK1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124343-A Substituted phenyl compounds with a substituent having a thienyl ring RHONE-POULENC RORER LIMITED (GB) 2000-09-26 US disclosed
EP-0805802-B1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE POULENC RORER LTD (GB) 2000-08-16 EP disclosed
US-6048893-A Substituted phenyl compounds with a substituent having A 1,3-benzodioxole ring RHONE-POULENC RORER LIMITED (GB) 2000-04-11 US disclosed
EP-0805802-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE-POULENC RORER LIMITED (GB) 1997-11-12 EP disclosed
WO-1996022978-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE POULENC RORER LIMITED (GB) 1996-08-01 WO disclosed