SCHEMBL8705285

SCHEMBL8705285

CCC(C)(C)C1CCC(Nc2ccnc(C)c2OC)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.35
FGFR2 P21802 1/20 0.35
GAA P10253 2/20 0.34
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
NOS3 P29474 2/20 0.33
GRM1 Q13255 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAOA P21397 1/20 0.31
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL8705288 1.00 NSD2 (0.35) NSD2FGFR2GAANOS1NOS2
SCHEMBL8705041 0.90 NSD2 (0.35) NSD2FGFR2GAANOS1NOS2
SCHEMBL8705038 0.90 NSD2 (0.35) NSD2FGFR2GAANOS1NOS2
SCHEMBL9035638 0.89 FGFR2 (0.34) NSD2FGFR2NOS1NOS2NOS3
SCHEMBL9035632 0.89 FGFR2 (0.34) NSD2FGFR2NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL8707219 0.88 FGFR2 (0.34) NSD2FGFR2GRM1MAOADRD2
Hydrochloric Acid SCHEMBL8710432 0.88 FGFR2 (0.34) NSD2FGFR2GRM1MAOADRD2
SCHEMBL8417988 0.87 FGFR2 (0.44) NSD2FGFR2GAAGRM1ALDH1A1
SCHEMBL8417986 0.87 FGFR2 (0.44) NSD2FGFR2GAAGRM1ALDH1A1
SCHEMBL8840569 0.85 FGFR2 (0.33) NSD2FGFR2GAAGRM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723450-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-03-03 US disclosed
EP-0719256-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-1995007891-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed