SCHEMBL17067337

SCHEMBL17067337

Bc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C(F)(F)F)c1NC(=O)c1cccc(N(C)C(=O)C(=O)N(C)CC(F)(F)F)c1F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.33
CTSS P25774 1/20 0.32
F2R P25116 1/20 0.32
UGCG Q16739 1/20 0.32
KCNK3 O14649 3/20 0.31
KCNK9 Q9NPC2 3/20 0.31
RXFP1 Q9HBX9 4/20 0.31
P2RX1 P51575 2/20 0.31
PTGS1 P23219 1/20 0.31
P2RX7 Q99572 1/20 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
SCHEMBL17067290 0.90 SMN1; SMN2 (0.34) PTGESCTSSF2RUGCGKCNK3
SCHEMBL17067318 0.90 CTSS (0.34) PTGESCTSSF2RUGCGKCNK3
SCHEMBL17067341 0.86 RXFP1 (0.34) PTGESCTSSRXFP1
SCHEMBL17067330 0.78 DHODH (0.34) F2RUGCGKCNK3KCNK9RXFP1
SCHEMBL17067298 0.77 PTGES (0.39) PTGESRXFP1
SCHEMBL20537242 0.77 KCNK3 (0.40) PTGESCTSSKCNK3KCNK9RXFP1
SCHEMBL17067315 0.76 RXFP1 (0.36) PTGESCTSSRXFP1
SCHEMBL17067285 0.76 SMN1; SMN2 (0.38) PTGESF2RRXFP1
SCHEMBL17067329 0.76
SCHEMBL17067294 0.76 DHODH (0.33) UGCGRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2915530-A1 COMPOSITION FOR ANIMAL PARASITE EXTERMINATION AND METHOD FOR ANIMAL PARASITE EXTERMINATION Mitsui Chemicals Agro, Inc. (JP) 2015-09-09 EP disclosed