SCHEMBL8330141

SCHEMBL8330141

CCNC(=O)OC(c1cnccc1C(F)(F)F)c1cncnc1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
SSTR4 P31391 4/20 0.34
DGAT2 Q96PD7 1/20 0.33
KDM4E B2RXH2 3/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LIMK1 P53667 2/20 0.32
POLQ O75417 1/20 0.32
LIMK2 P53671 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.31
NTRK1 P04629 1/20 0.31
RIPK1 Q13546 2/20 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
SCHEMBL8328825 0.88 SSTR4 (0.38) MAPTSSTR4DGAT2KDM4ETRPM8
SCHEMBL8327868 0.82 MAPT (0.38) MAPTLIMK1POLQLIMK2TRPM8
SCHEMBL8745915 0.78 CYP3A4 (0.39) KDM4ECYP3A4TSHRHSD17B10TDP1
SCHEMBL8745950 0.77 CYP3A4 (0.39) KDM4ECYP3A4TSHRHSD17B10TDP1
SCHEMBL9028568 0.76 SCN9A (0.37) KDM4EALDH1A1KMT2A
SCHEMBL8328842 0.75 NPC1 (0.38) MAPTSSTR4TRPM8ALDH1A1
SCHEMBL8802627 0.74 SSTR4 (0.37) MAPTSSTR4KDM4ETRPM8ALDH1A1
SCHEMBL8745947 0.73 RIPK1 (0.36) KDM4ECYP3A4TSHRHSD17B10TDP1
SCHEMBL8745954 0.72 KDM4E (0.39) MAPTKDM4ECYP3A4TSHRHSD17B10
SCHEMBL8745946 0.72 KDM4E (0.39) KDM4ECYP3A4TSHRHSD17B10TDP1

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 5 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
EP-0758321-A1 3-SUBSTITUTED PYRIDINE COMPOUNDS AND DERIVATIVES THEREOF AS HERBICIDES ZENECA LIMITED (GB) 1997-02-19 EP 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