SCHEMBL6944159

SCHEMBL6944159

O=C(Nc1ccc(F)cc1)c1cncc(Oc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.61
GAA P10253 3/20 0.58
RAB9A P51151 1/20 0.55
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TLR8 Q9NR97 2/20 0.53
TLR7 Q9NYK1 1/20 0.53
P2RY1 P47900 1/20 0.52
EGFR P00533 1/20 0.52
NPY5R Q15761 1/20 0.49
KDR P35968 1/20 0.46

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
SCHEMBL8720589 0.92 NTRK1 (0.58) NTRK1GAARAB9AMAPTKDM4E
SCHEMBL8721207 0.92 NTRK1 (0.63) NTRK1GAARAB9AMAPTKDM4E
SCHEMBL8721048 0.91 GAA (0.59) NTRK1GAARAB9AMAPTKDM4E
SCHEMBL8723965 0.91 NTRK1 (0.63) NTRK1GAARAB9AMAPTKDM4E
SCHEMBL54805 0.88 MAPT (0.65) NTRK1GAARAB9AMAPTKDM4E
SCHEMBL29497315 0.88 MAPT (0.65) NTRK1GAARAB9AMAPTKDM4E
SCHEMBL29732862 0.88 MAPT (0.65) NTRK1GAARAB9AMAPTKDM4E
SCHEMBL8721193 0.87 NPSR1 (0.60) NTRK1GAARAB9AMAPTKDM4E
SCHEMBL8720588 0.84 P2RY1 (0.56) NTRK1GAARAB9AMAPTKDM4E
SCHEMBL8721936 0.83 KCNQ3 (0.47) NTRK1RAB9AL3MBTL1TLR8KDR

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-0700391-B1 HERBICIDAL COMPOUNDS SHELL INT RESEARCH (NL) 1998-10-21 EP claimed
EP-0798296-B1 Process of preparation of Arylamides Heteroaromatic Carboxylic Acids LONZA AG (CH) 2003-12-10 EP disclosed
US-6175011-B1 PREPARING ARYLOXY ARYLAMIDES OF PYRIDINE-, PYRIMIDINE-, PYRAZINE- AND 1,3,5-TRIAZINE-CARBOXYLIC ACIDS BY REACTING THE HETEROAROMATIC DIHALIDE WITH AN AROMATIC HYDROXY THEN WITH CARBON MONOXIDE AND AN ARYLAMINE USING DIPHOSPHINE CATALYST LONZA AG (CH) 2001-01-16 US disclosed
US-5922870-A Process for the preparation of arylamides of heteroaromatic carboxylic acids LONZA AG (CH) 1999-07-13 US disclosed
EP-0798296-A2 Process of preparation of Arylamides Heteroaromatic Carboxylic Acids LONZA AG (CH) 1997-10-01 EP disclosed