SCHEMBL23965666

SCHEMBL23965666

CC(=O)C(=N)c1cccc(C)c1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
KLK1 P06870 1/20 0.35
KLK5 Q9Y337 1/20 0.35
MYC P01106 1/20 0.35
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
CYP3A4 P08684 3/20 0.33
HTT P42858 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 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
SCHEMBL23965589 0.86 HPGD (0.38) HPGDKDM4EALDH1A1HSD17B10F2
SCHEMBL23967919 0.86 GABRA1 (0.34) HPGDKDM4EALDH1A1HSD17B10F2
SCHEMBL23965600 0.82 HPGD (0.38) HPGDKDM4EALDH1A1HSD17B10F2
SCHEMBL23965622 0.82 HPGD (0.36) HPGDKDM4EALDH1A1HSD17B10F2
SCHEMBL5963706 0.78 ALDH1A1 (0.57) HPGDKDM4EALDH1A1HSD17B10MYC
SCHEMBL27409195 0.77 ALDH1A1 (0.55) HPGDKDM4EALDH1A1HSD17B10MYC
SCHEMBL30585075 0.77 CD38 (0.46) HPGDKDM4EALDH1A1HSD17B10MYC
SCHEMBL23965683 0.73 LMNA (0.46) HPGDALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL23965593 0.72 KDM4E (0.33) HPGDKDM4EALDH1A1HSD17B10MYC
SCHEMBL357603 0.72 GABRA1 (0.48) HPGDKDM4EALDH1A1HSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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