SCHEMBL7786072

SCHEMBL7786072

Nc1nc(F)c(C(F)(F)F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.35
NOTUM Q6P988 5/20 0.33
BACE1 P56817 1/20 0.33
PIK3CD O00329 1/20 0.33
CASP3 P42574 1/20 0.33
TRPA1 O75762 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
IDO1 P14902 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL30355198 0.85 NOTUM (0.36) MPLNOTUMCASP3TRPA1TRPM8
SCHEMBL6950199 0.85 NOTUM (0.36) MPLNOTUMCASP3TRPA1TRPM8
SCHEMBL31717937 0.82 PIK3CD (0.41) MPLNOTUMBACE1PIK3CDCASP3
SCHEMBL7784302 0.82 PIK3CD (0.41) MPLNOTUMBACE1PIK3CDCASP3
SCHEMBL28454953 0.79 NOTUM (0.35) NOTUMPIK3CDCASP3TRPA1TRPM8
SCHEMBL31711366 0.78 SLC9A1 (0.37) GAASLC9A1
SCHEMBL6946317 0.76 MAPT (0.35) NOTUMTRPA1TRPM8TRPV1IDO1
SCHEMBL29964210 0.75 HTT (0.35) SLC9A1
SCHEMBL21670482 0.75 NOTUM (0.35) NOTUMPIK3CDCASP3TRPA1TRPM8
SCHEMBL30285322 0.75 NOTUM (0.35) NOTUMPIK3CDCASP3TRPA1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750705-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-05-12 US claimed
EP-0759429-A1 Substituted trifluormethylpyridines useful as intermediates for herbicidal 1-(pyridyl)-pyrazoles BASF Aktiengesellschaft (DE) 1997-02-26 EP claimed
EP-0759429-B1 Substituted trifluormethylpyridines useful as intermediates for herbicidal 1-(pyridyl)-pyrazoles BASF AG (DE) 2001-10-24 EP disclosed
US-5849920-A Substituted trifluoromethylpyridines BASF AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
US-5750705-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-05-12 US disclosed
EP-0759429-A1 Substituted trifluormethylpyridines useful as intermediates for herbicidal 1-(pyridyl)-pyrazoles BASF Aktiengesellschaft (DE) 1997-02-26 EP disclosed