SCHEMBL23967939

SCHEMBL23967939

CCc1ccc(C(C)=N)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
EPHX2 P34913 7/20 0.40
NOTUM Q6P988 1/20 0.38
IDO1 P14902 2/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PPARG P37231 1/20 0.36
NPFFR2 Q9Y5X5 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
POLQ O75417 3/20 0.35
MLYCD O95822 1/20 0.34

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
SCHEMBL16951384 0.87 EPHX2 (0.41) KIF11EPHX2NOTUMIDO1MAOA
SCHEMBL16962847 0.83 EPHX2 (0.39) KIF11EPHX2NOTUMMAOAMAOB
SCHEMBL6293963 0.82 ALDH1A1 (0.46) EPHX2
SCHEMBL13617388 0.81 MAOB (0.46) EPHX2MAOBHDAC6
SCHEMBL7951803 0.81 EPHX2 (0.43) KIF11EPHX2NOTUMMAOAMAOB
SCHEMBL16962141 0.80 EPHX2 (0.37) KIF11EPHX2NOTUMMAOAMAOB
SCHEMBL23965626 0.79 HSP90AA1 (0.38)
SCHEMBL3902837 0.78 NOTUM (0.60) EPHX2NOTUM
SCHEMBL19304121 0.76 HSD17B3 (0.41) KIF11EPHX2IDO1POLQ
SCHEMBL23978115 0.76 KIF11 (0.41) KIF11NOTUMNPFFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3903582-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 II BASF SE (DE) 2021-11-03 EP disclosed
EP-3903584-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 IV BASF SE (DE) 2021-11-03 EP disclosed
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