SCHEMBL23965639

SCHEMBL23965639

CCc1c(C)cccc1C(=N)C(=O)CCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
CXCR5 P32302 2/20 0.34
GLS O94925 1/20 0.33
F2R P25116 2/20 0.33
CA1 P00915 2/20 0.33
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KCNA5 P22460 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ANPEP P15144 1/20 0.32
HTT P42858 1/20 0.31
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
F2 P00734 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
SCHEMBL23965589 0.77 HPGD (0.38) CXCR5F2RERCC5FEN1KDM4E
SCHEMBL23965643 0.76 PLAU (0.40) CXCR5ERCC5FEN1KDM4EALDH1A1
SCHEMBL23965655 0.74 HPGD (0.38) CXCR5ERCC5FEN1KDM4EALDH1A1
SCHEMBL697398 0.70 BRPF1 (0.43) CXCR5F2RERCC5FEN1KDM4E
SCHEMBL1549077 0.70 ALDH1A1 (0.57) ERCC5FEN1KDM4EALDH1A1HPGD
SCHEMBL1660584 0.69 PARP1 (0.46) KDM4EALDH1A1HPGDHSD17B10SLC6A3
SCHEMBL12164009 0.68 HPGD (0.46) CXCR5KDM4EALDH1A1HPGDHTT
SCHEMBL2007368 0.67 HPGD (0.44) CXCR5ERCC5FEN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL28802432 0.67 ALDH1A1 (0.53) ERCC5FEN1KDM4EALDH1A1HPGD
SCHEMBL778105 0.67 TSHR (0.41) CXCR5ERCC5FEN1KDM4EALDH1A1

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-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
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