SCHEMBL23965606

SCHEMBL23965606

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
C1S P09871 1/20 0.43
PRSS3 P35030 1/20 0.43
ASIC3 Q9UHC3 1/20 0.36
TPMT P51580 2/20 0.34
KDR P35968 1/20 0.34
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
RAPGEF4 Q8WZA2 2/20 0.32
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
TSHR P16473 1/20 0.30
HCAR1 Q9BXC0 2/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30

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
SCHEMBL17191008 0.85 TPMT (0.46) TPMTKDRCNR2CNR1TSHR
SCHEMBL23965608 0.83 PRSS1 (0.59) PRSS1PRSS2C1SPRSS3TPMT
SCHEMBL12372142 0.77 TPMT (0.44) TPMTKDRCNR2CNR1KCNK3
SCHEMBL16688215 0.77 TPMT (0.34) PRSS1PRSS2C1SPRSS3TPMT
SCHEMBL12332468 0.77 PRSS1 (0.39) PRSS1PRSS2C1SPRSS3ASIC3
SCHEMBL16958443 0.74 KDR (0.33) PRSS1PRSS2C1SPRSS3TPMT
SCHEMBL668260 0.73 TPMT (0.44) TPMTKDRCNR2CNR1KCNK3
SCHEMBL2172133 0.73 TPMT (0.70) TPMTKDRCNR2TSHRHCAR1
SCHEMBL2172128 0.73 TPMT (0.44) TPMTKDRCNR2CNR1KCNK3
SCHEMBL18405469 0.73 PRSS1 (0.43) PRSS1PRSS2C1SPRSS3TPMT

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-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-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