SCHEMBL8840570

SCHEMBL8840570

C=CCOCc1nccc(NC2CCC(C(C)(C)C)CC2)c1OC

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 1/20 0.37
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
GRM1 Q13255 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
SCHEMBL8840573 1.00 FGFR2 (0.37) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8840466 0.86 FGFR2 (0.41) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8840461 0.86 FGFR2 (0.41) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8840429 0.84 HTR1A (0.33) ALDH1A1
SCHEMBL8840436 0.84 HTR1A (0.33) ALDH1A1
Hydrochloric Acid SCHEMBL8415218 0.81 FGFR2 (0.43) FGFR2MEN1ALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL8415219 0.81 FGFR2 (0.43) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8840482 0.79 FGFR2 (0.36) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8840472 0.79 FGFR2 (0.36) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8840569 0.76 FGFR2 (0.33) FGFR2MEN1ALDH1A1GAAKMT2A

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-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
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