SCHEMBL8840494

SCHEMBL8840494

CCOCc1nccc(N(OCc2ccccc2)[C@H]2CC[C@@H](C(C)(C)C)CC2)c1OCC

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
AVPR1A P37288 1/20 0.32
PRMT5 O14744 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
GCGR P47871 2/20 0.31
GIPR P48546 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
SCHEMBL8840493 0.92 AVPR1A (0.31) AVPR1APRMT5
SCHEMBL8840380 0.87 KDM4E (0.34) AVPR1APRMT5
SCHEMBL8840430 0.85 KMT2A (0.33) KMT2ANPBWR1MCHR1MEN1ALDH1A1
SCHEMBL8840550 0.84 L3MBTL1 (0.35) KMT2ANPBWR1MCHR1
SCHEMBL8840416 0.84 TP53 (0.35) AVPR1APRMT5
SCHEMBL9035111 0.80 PRMT5 (0.31) PRMT5
SCHEMBL8840521 0.79 KMT2A (0.33) KMT2ANPBWR1MCHR1MEN1ALDH1A1
SCHEMBL27449186 0.76 KMT2A (0.33) KMT2ANPBWR1MCHR1MEN1ALDH1A1
SCHEMBL9033980 0.74
SCHEMBL8840575 0.73

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