SCHEMBL5709016

SCHEMBL5709016

COC(=O)Oc1ncccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.47
SSTR4 P31391 11/20 0.46
SSTR1 P30872 4/20 0.45
P2RY1 P47900 1/20 0.44
NFE2L2 Q16236 1/20 0.43
TRPM8 Q7Z2W7 2/20 0.43

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
SCHEMBL4947195 0.84 SSTR4 (0.44) SLC22A12SSTR4SSTR1P2RY1NFE2L2
SCHEMBL4527979 0.83 SSTR4 (0.46) SSTR4SSTR1
SCHEMBL5709212 0.82 TRPV1 (0.43) SLC22A12SSTR4SSTR1P2RY1
SCHEMBL2635568 0.81 KIF11 (0.42) SLC22A12SSTR4SSTR1P2RY1NFE2L2
Hydrochloric Acid SCHEMBL26136590 0.79 TRPV1 (0.41) SLC22A12SSTR4SSTR1P2RY1NFE2L2
SCHEMBL4527982 0.79 SSTR4 (0.44) SSTR4SSTR1
SCHEMBL2303688 0.78 ANO1 (0.48) SLC22A12P2RY1
SCHEMBL17025934 0.78 PLCG1 (0.40) SLC22A12SSTR4SSTR1P2RY1NFE2L2
SCHEMBL17138019 0.78 TRPV4 (0.38) SLC22A12SSTR4SSTR1P2RY1NFE2L2
SCHEMBL322870 0.78 SLC22A12 (0.55) SLC22A12NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699763-A1 3-TRIFLUOROMETHYL PICOLINIC ACID ANILIDES, AND USE THEREOF AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2006-09-13 EP disclosed
WO-2005063710-A1 3-TRIFLUOROMETHYL PICOLINIC ACID ANILIDES, AND USE THEREOF AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2005-07-14 WO disclosed