SCHEMBL7408997

SCHEMBL7408997

C=CCOc1ccc(C#N)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAOB P27338 4/20 0.44
MAOA P21397 3/20 0.44
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA9 Q16790 5/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL6932984 0.83 MAPT (0.43) MAPTHPGDALDH1A1GAAMEN1
SCHEMBL2476400 0.81 MRGPRX4 (0.47) MAPTHPGDMEN1LMNAKMT2A
SCHEMBL3965716 0.81 MEN1 (0.45) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL29509997 0.79 MAPT (0.53) MAPTHPGDALDH1A1GAAMEN1
SCHEMBL10612278 0.79 XDH (0.42) MAPTHPGDALDH1A1GAAMEN1
SCHEMBL4252680 0.78 GLA (0.49) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL21728104 0.77 ALDH1A1 (0.46) MAPTHPGDALDH1A1GAAMEN1
SCHEMBL28303519 0.77 PLA2G7 (0.46) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL5901307 0.77 MAOB (0.48) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL23795076 0.76 MAOB (0.53) MAPTHPGDALDH1A1MEN1LMNA

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
WO-2000069844-A1 OLIGOHYDROXYL SUBSTITUTED BENZOFURAN-3-YL AND PYRIDOFURANYLUREA DERIVATIVES AS PHOSPHODIESTERASE IV INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2000-11-23 WO disclosed
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
CN-1178525-A Substituted phenyl compounds as endothelin antagonists RHONE POULEUC RORER LTD (GB) 1998-04-08 CN 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