SCHEMBL23965684

SCHEMBL23965684

CCc1cc(C(C)=N)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
CES2 O00748 1/20 0.39
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
IDO1 P14902 2/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
PRKCA P17252 1/20 0.34
PRKCD Q05655 1/20 0.34
MAOB P27338 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
RHOA P61586 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MLYCD O95822 1/20 0.33

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
SCHEMBL16958304 0.87 NOTUM (0.41) NOTUMCES2RXRARXRBRXRG
SCHEMBL21697648 0.84 RXRA (0.52) NOTUMCES2RXRARXRBRXRG
SCHEMBL16959714 0.82 NOTUM (0.38) NOTUMCES2RXRARXRBRXRG
SCHEMBL13925972 0.82 CES2 (0.56) NOTUMCES2RXRARXRBRXRG
SCHEMBL17897037 0.80 MRGPRX4 (0.51) NOTUMCES2RXRARXRBRXRG
SCHEMBL16958887 0.80 NOTUM (0.36) NOTUMCES2RXRARXRBRXRG
SCHEMBL26074528 0.80 IDO1 (0.46) NOTUMCES2IDO1
SCHEMBL148275 0.80 IDO1 (0.52) NOTUMCES2RXRARXRBRXRG
Acetic Acid SCHEMBL27816284 0.77 NQO2 (0.38) NOTUMRXRARXRBRXRGIDO1
SCHEMBL13070067 0.75 IDO1 (0.44) NOTUMIDO1

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-3903583-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 III BASF SE (DE) 2021-11-03 EP disclosed