SCHEMBL23967959

SCHEMBL23967959

CC(=N)c1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
CES2 O00748 2/20 0.38
NOTUM Q6P988 1/20 0.36
DGAT1 O75907 1/20 0.34
EPRS1 P07814 1/20 0.34
NPFFR1 Q9GZQ6 1/20 0.33
NPFFR2 Q9Y5X5 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
KIF11 P52732 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HCAR1 Q9BXC0 1/20 0.32
TMPRSS4 Q9NRS4 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
S1PR4 O95977 1/20 0.32
EPHX1 P07099 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL7787369 0.81 CES2 (0.46) KDM1ACES2NOTUMDGAT1EPRS1
SCHEMBL29451092 0.77 EPRS1 (0.51) KDM1ACES2DGAT1EPRS1
SCHEMBL257339 0.77 EPRS1 (0.51) KDM1ACES2DGAT1EPRS1
SCHEMBL28299420 0.77 KDM1A (0.42) KDM1ACES2NOTUMDGAT1EPRS1
SCHEMBL25532291 0.76 CES2 (0.47) KDM1ACES2NOTUMDGAT1EPRS1
SCHEMBL30864218 0.75 KDM1A (0.50) KDM1ACES2NOTUMEPRS1NPFFR1
SCHEMBL6267032 0.75 KDM1A (0.50) KDM1ACES2NOTUMEPRS1NPFFR1
SCHEMBL17159522 0.75 CES2 (0.47) KDM1ACES2NOTUMDGAT1EPRS1
SCHEMBL23205445 0.75 DGAT1 (0.55) KDM1ACES2DGAT1
SCHEMBL6888239 0.74 KDM1A (0.44) KDM1ACES2DGAT1EPRS1NPFFR1

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-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