SCHEMBL8328825

SCHEMBL8328825

CCNC(=O)OC(c1cnccc1C(F)(F)F)c1cnccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 6/20 0.38
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
SCD O00767 1/20 0.35
SCD5 Q86SK9 1/20 0.35
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
NOTUM Q6P988 1/20 0.33

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
SCHEMBL8330141 0.88 MAPT (0.34) SSTR4MAPTALDH1A1KDM4EKMT2A
SCHEMBL9028568 0.85 SCN9A (0.37) POLBALDH1A1KDM4EKMT2ANOTUM
SCHEMBL8328842 0.85 NPC1 (0.38) SSTR4MAPTNPC1POLBALDH1A1
SCHEMBL8802627 0.84 SSTR4 (0.37) SSTR4MAPTNPC1POLBALDH1A1
SCHEMBL8745946 0.79 KDM4E (0.39) NPC1POLBKDM4EKMT2ANPSR1
SCHEMBL8745915 0.79 CYP3A4 (0.39) POLBALDH1A1KDM4EKMT2A
SCHEMBL8745950 0.78 CYP3A4 (0.39) POLBALDH1A1KDM4EKMT2ANOTUM
SCHEMBL8326882 0.77 MAPT (0.40) MAPTNPC1POLBTRPM8GAA
SCHEMBL8745954 0.77 KDM4E (0.39) MAPTPOLBKDM4EKMT2A
SCHEMBL9028891 0.77 LIMK1 (0.37) POLBALDH1A1KDM4EKMT2ANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758321-B1 3-SUBSTITUTED PYRIDINE COMPOUNDS AND DERIVATIVES THEREOF AS HERBICIDES ZENECA LTD (GB) 1999-04-21 EP disclosed
US-5763357-A HERBICIDES ZENECA LIMITED (GB) 1998-06-09 US disclosed
US-5595958-A HERBICIDES ZENECA LIMITED (GB) 1997-01-21 US disclosed
WO-1995029893-A1 3-SUBSTITUTED PYRIDINE COMPOUNDS AND DERIVATIVES THEREOF AS HERBICIDES ZENECA LIMITED (GB) 1995-11-09 WO disclosed