SCHEMBL8840430

SCHEMBL8840430

COCc1nccc(N(OCc2ccccc2)[C@H]2CC[C@@H](C(C)(C)C)CC2)c1OC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
GCGR P47871 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
SCHEMBL8840550 0.89 L3MBTL1 (0.35) KMT2ANPBWR1MCHR1
SCHEMBL8840521 0.88 KMT2A (0.33) KMT2ANPBWR1MCHR1MEN1ALDH1A1
SCHEMBL8840417 0.87 GRM2 (0.34)
SCHEMBL8840494 0.85 KMT2A (0.34) KMT2ANPBWR1MCHR1MEN1ALDH1A1
SCHEMBL8840584 0.85 DRD3 (0.32) ALDH1A1
SCHEMBL8840474 0.82 C5AR1 (0.37)
SCHEMBL8840595 0.82 SLC6A5 (0.31)
SCHEMBL8840454 0.81 TP53 (0.34)
SCHEMBL27449186 0.81 KMT2A (0.33) KMT2ANPBWR1MCHR1MEN1ALDH1A1
SCHEMBL8840399 0.80 HRH3 (0.35)

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