SCHEMBL23965608

SCHEMBL23965608

CC(=N)c1cc(C)cc(C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.59
PRSS2 P07478 2/20 0.59
PRSS3 P35030 2/20 0.59
C1S P09871 1/20 0.59
TPMT P51580 1/20 0.48
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.38
HCAR1 Q9BXC0 1/20 0.36
HPGD P15428 1/20 0.35
ACHE P22303 2/20 0.35
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
SELE P16581 1/20 0.35
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR2 P34972 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL23965606 0.83 PRSS1 (0.43) PRSS1PRSS2PRSS3C1STPMT
SCHEMBL18405469 0.83 PRSS1 (0.43) PRSS1PRSS2PRSS3C1STPMT
SCHEMBL16953904 0.75 TPMT (0.52) PRSS1PRSS2PRSS3C1STPMT
SCHEMBL20146052 0.74 PRSS1 (0.56) PRSS1PRSS2PRSS3C1STPMT
SCHEMBL21792281 0.74 PRSS1 (1.00) PRSS1PRSS2PRSS3C1STPMT
SCHEMBL10143068 0.74 PARP1 (0.54) HPGDACHEKMT2AMEN1
SCHEMBL14192217 0.74 TPMT (0.52) PRSS1PRSS2PRSS3C1STPMT
SCHEMBL16950646 0.73 TPMT (0.57) PRSS1PRSS2PRSS3C1STPMT
SCHEMBL28417343 0.71 TPMT (0.55) PRSS1PRSS2PRSS3C1STPMT
SCHEMBL716226 0.71 TPMT (0.48) PRSS1PRSS2PRSS3C1STPMT

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-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-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