SCHEMBL23965677

SCHEMBL23965677

CCc1ccc(C(C)=N)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
IDO1 P14902 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
PIK3CA P42336 1/20 0.36
PDE2A O00408 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PNMT P11086 1/20 0.35
TSHR P16473 2/20 0.35
CYP4F2 P78329 1/20 0.35

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
SCHEMBL23967871 0.85 MAPT (0.44) SIGMAR1IDO1SMN1; SMN2NPC1MAPT
SCHEMBL1363447 0.81 TRPA1 (0.41) TRPA1SIGMAR1IDO1SMN1; SMN2NPC1
SCHEMBL18075547 0.81 SMN1; SMN2 (0.43) TRPA1SMN1; SMN2NPC1MAPTCASP3
SCHEMBL8875590 0.77 MAPT (0.43) TRPA1SMN1; SMN2NPC1MAPTCASP3
SCHEMBL11984397 0.77 SMN1; SMN2 (0.57) SMN1; SMN2NPC1MAPTCASP3RAB9A
SCHEMBL93983 0.77 IDO1 (0.58) TRPA1SIGMAR1IDO1SMN1; SMN2MAPT
SCHEMBL12109847 0.76 ADRA1D (0.51) TRPA1SMN1; SMN2NPC1MAPTCASP3
Ammonia Solution, Strong SCHEMBL793693 0.74 IDO1 (0.56) TRPA1SIGMAR1IDO1SMN1; SMN2MAPT
SCHEMBL15777897 0.74 ABL1 (0.49) SMN1; SMN2NPC1MAPTCASP3RAB9A
SCHEMBL27540787 0.74 MAPT (0.48) TRPA1SMN1; SMN2NPC1MAPTCASP3

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-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