SCHEMBL23967871

SCHEMBL23967871

CCCc1ccc(C(C)=N)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
SIGMAR1 Q99720 8/20 0.41
PNMT P11086 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
ACACB O00763 2/20 0.38
IDO1 P14902 2/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL23965677 0.85 TRPA1 (0.41) MAPTNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL8875910 0.79 MAPT (0.51) MAPTNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL23967920 0.79 CNR1 (0.43) MAPTCNR2CNR1LPLLIPG
SCHEMBL20077276 0.79 SMN1; SMN2 (0.53) MAPTNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL429772 0.78 PNMT (0.61) MAPTCNR2CNR1SIGMAR1PNMT
SCHEMBL8338463 0.75 NPC1 (0.58) MAPTNPC1CASP3RAB9ASMN1; SMN2
Bicarbonate SCHEMBL3431862 0.74 PNMT (0.52) MAPTSMN1; SMN2CNR2CNR1SIGMAR1
SCHEMBL4462445 0.73 CYP3A4 (0.50) MAPTNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL10948799 0.73 NPC1 (0.47) MAPTNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL20077738 0.73 SMN1; SMN2 (0.57) MAPTNPC1CASP3RAB9ASMN1; SMN2

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 2 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-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