SCHEMBL8414973

SCHEMBL8414973

COc1c(O[C@H]2CC[C@@H](C(C)(C)C)CC2)ccnc1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
FGFR2 P21802 1/20 0.38
CYP19A1 P11511 1/20 0.36
S1PR5 Q9H228 12/20 0.35
MAOA P21397 1/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LRRK2 Q5S007 2/20 0.32
ENPP2 Q13822 1/20 0.31

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
SCHEMBL8414972 1.00 MAPT (0.38) MAPTFGFR2CYP19A1S1PR5MAOA
SCHEMBL8705580 0.87 S1PR5 (0.38) S1PR5MAOA
SCHEMBL8415224 0.82 MAPT (0.39) MAPTFGFR2CYP19A1S1PR5ENPP2
SCHEMBL8415227 0.82 MAPT (0.39) MAPTFGFR2CYP19A1S1PR5ENPP2
SCHEMBL8840522 0.82 CYP19A1 (0.36) MAPTFGFR2CYP19A1S1PR5MEN1
SCHEMBL8840535 0.82 CYP19A1 (0.36) MAPTFGFR2CYP19A1S1PR5MEN1
SCHEMBL8711530 0.79 PDE4B (0.42) MAOA
SCHEMBL8705538 0.78 GRM2 (0.38) S1PR5MAOAALDH1A1GAAL3MBTL1
SCHEMBL8705541 0.78 GRM2 (0.38) S1PR5MAOAALDH1A1GAAL3MBTL1
SCHEMBL8417988 0.77 FGFR2 (0.44) MAPTFGFR2MAOAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877322-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1999-03-02 US disclosed
US-5650417-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-07-22 US disclosed
EP-0719255-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
EP-0719257-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995007890-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed
WO-1995007892-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed