SCHEMBL30305711

SCHEMBL30305711

C=C(C(=O)C(=C)c1cc(C(F)(F)F)nn1C)c1cc(C(F)(F)F)nn1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
GRN P28799 1/20 0.49
SORT1 Q99523 1/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL17920 0.82 GRN (0.71) KDM4EGRNSORT1RAB9ANPC1
SCHEMBL13064210 0.82 KDM4E (0.51) KDM4EGRNSORT1RAB9ANPC1
SCHEMBL20763649 0.82 KDM4E (0.43) KDM4EGRNSORT1RAB9ANPC1
SCHEMBL951323 0.81 KDM4E (0.50) KDM4EGRNSORT1RAB9ANPC1
SCHEMBL17732 0.81 KDM4E (0.50) KDM4EGRNSORT1RAB9ANPC1
Hydrochloric Acid SCHEMBL8932269 0.81 GRN (0.69) KDM4EGRNSORT1RAB9ANPC1
SCHEMBL20745023 0.81 KDM4E (0.42) KDM4EGRNSORT1RAB9ANPC1
SCHEMBL20763628 0.79 KDM4E (0.45) KDM4EGRNSORT1RAB9ANPC1
SCHEMBL13020360 0.79 KDM4E (0.53) KDM4EGRNSORT1RAB9ANPC1
SCHEMBL19994223 0.78 KDM4E (0.47) KDM4EGRNSORT1RAB9ANPC1

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
CN-116056576-A Use of strobilurin type compounds for combating phytopathogenic fungi containing F129L amino acid substitutions conferring tolerance to Qo inhibitor VIII in mitochondrial cytochrome b proteins 巴斯夫欧洲公司 2023-05-02 CN disclosed