SCHEMBL23978115

SCHEMBL23978115

CC(=N)c1ccc(C)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ADCY8 P40145 3/20 0.39
ADCY1 Q08828 3/20 0.39
GPBAR1 Q8TDU6 2/20 0.39
S1PR1 P21453 4/20 0.39
NPFFR2 Q9Y5X5 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
NOTUM Q6P988 2/20 0.38
ALKBH5 Q6P6C2 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL16957525 0.86 ADCY8 (0.40) KIF11ADCY8ADCY1GPBAR1S1PR1
SCHEMBL31085070 0.82 KIF11 (0.51) KIF11ADCY8ADCY1GPBAR1TAS2R14
SCHEMBL313001 0.82 KIF11 (0.51) KIF11ADCY8ADCY1GPBAR1TAS2R14
SCHEMBL22728381 0.82 ADCY8 (0.39) KIF11ADCY8ADCY1GPBAR1S1PR1
SCHEMBL27803229 0.80 HTT (0.48) KIF11ADCY8ADCY1GPBAR1TAS2R14
SCHEMBL16959291 0.79 ADCY8 (0.37) KIF11ADCY8ADCY1GPBAR1S1PR1
SCHEMBL29528380 0.78 TAS2R14 (0.50) ADCY8ADCY1GPBAR1TAS2R14ALKBH5
SCHEMBL374174 0.78 TAS2R14 (0.50) ADCY8ADCY1GPBAR1TAS2R14ALKBH5
SCHEMBL16961054 0.78 ADCY8 (0.38) KIF11ADCY8ADCY1GPBAR1S1PR1
SCHEMBL2891169 0.77 ADCY8 (0.43) KIF11ADCY8ADCY1GPBAR1S1PR1

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-3903581-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS I BASF SE (DE) 2021-11-03 EP disclosed