SCHEMBL25256948

SCHEMBL25256948

CCOCc1nc2cnc3ccsc3c2n1CCCCNC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.39
TLR8 Q9NR97 2/20 0.39
LMNA P02545 4/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 2/20 0.33
PLA2G1B P04054 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL25257990 0.88 TLR8 (0.43) TLR7TLR8L3MBTL1
SCHEMBL31270698 0.88 TLR8 (0.43) TLR7TLR8L3MBTL1
SCHEMBL25296123 0.87 TLR7 (0.48) TLR7TLR8LMNAGAAHTT
SCHEMBL25256134 0.85 RAB9A (0.39) TLR7LMNAGAAHTTNPSR1
SCHEMBL29263606 0.84 TLR7 (0.40) TLR7TLR8LMNACTDSP1TDP1
SCHEMBL9940820 0.83 TLR7 (0.45) TLR7TLR8LMNARAB9AATM
SCHEMBL1950513 0.80 TLR7 (0.45) TLR7TLR8GAAHTTRAB9A
SCHEMBL3862584 0.80 TLR7 (0.39) TLR7TLR8RAB9ATDP1ALDH1A1
SCHEMBL3865204 0.77 NMT1 (0.45) LMNAL3MBTL1ALDH1A1TP53SMN1; SMN2
SCHEMBL1486736 0.77 BRD4 (0.40) TLR7ALDH1A1SMN1; SMN2HPGDMAPT

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-2023125121-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-07-06 WO disclosed