SCHEMBL8050840

SCHEMBL8050840

Cn1nc(C(C)(C)C)c(Cl)c1C(=O)Nc1nnc(C(F)(F)F)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.46
HTT P42858 8/20 0.46
RAB9A P51151 8/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 5/20 0.46
NPSR1 Q6W5P4 3/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
TP53 P04637 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
FFAR2 O15552 1/20 0.42

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
SCHEMBL26796194 0.75 KDM4E (0.45) NPC1RAB9ASMN1; SMN2LMNANPSR1
SCHEMBL8553127 0.70 MEN1 (0.39) SMN1; SMN2LMNANPSR1MEN1KMT2A
SCHEMBL2444846 0.70 PKM (0.44) SMN1; SMN2LMNANPSR1MEN1KMT2A
SCHEMBL12599390 0.68 HTT (0.63) NPC1HTTRAB9ASMN1; SMN2LMNA
SCHEMBL28346728 0.68 NPC1 (0.56) NPC1HTTRAB9ASMN1; SMN2LMNA
SCHEMBL18620099 0.68 HTT (0.62) NPC1HTTRAB9ASMN1; SMN2LMNA
SCHEMBL2443760 0.68 PKM (0.41) NPC1RAB9ASMN1; SMN2LMNANPSR1
SCHEMBL11863078 0.67 HTT (0.60) NPC1HTTRAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL8057997 0.66 PKM (0.40) NPC1RAB9ASMN1; SMN2LMNANPSR1
SCHEMBL3786921 0.66 POLB (0.66) NPC1HTTRAB9ASMN1; SMN2LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000226389-A N-THIADIAZOLYLPYRAZOLECARBOXAMIDE DERIVATIVE AND INSECTICIDE AND ACARICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT MITSUBISHI CHEMICALS CORP 2000-08-15 JP disclosed