SCHEMBL22925064

SCHEMBL22925064

CC(S)/N=C/c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 3/20 0.55
ALDH1A1 P00352 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 2/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 5/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
BLM P54132 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 2/20 0.40
G6PC1 P35575 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL3174822 0.73 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1NPSR1
SCHEMBL26066559 0.73
SCHEMBL8946056 0.73
SCHEMBL8946058 0.73
SCHEMBL1256043 0.72 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL1492176 0.72 RAB9A (0.53) SMN1; SMN2NPC1RAB9AALDH1A1NPSR1
SCHEMBL1492175 0.72 RAB9A (0.53) SMN1; SMN2NPC1RAB9AALDH1A1NPSR1
SCHEMBL28902600 0.72 RAB9A (0.51) SMN1; SMN2NPC1RAB9AALDH1A1NPSR1
SCHEMBL4681800 0.71 NPC1 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1NPSR1
SCHEMBL16096921 0.71 PKM (0.49) SMN1; SMN2NPC1RAB9AALDH1A1NPSR1

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
WO-2021012264-A1 TRIAZOLE SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 东莞市东阳光农药研发有限公司 2021-01-28 WO disclosed