SCHEMBL25818232

SCHEMBL25818232

CCCCc1nc2c[n+](OC)c3ccsc3c2n1CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
DYRK1A Q13627 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
BRD4 O60885 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
STING1 Q86WV6 2/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 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
SCHEMBL30484371 0.90 TLR7 (0.41) TLR7LMNAGAAHTTTP53
SCHEMBL25303757 0.90 TLR7 (0.41) TLR7LMNAGAAHTTTP53
SCHEMBL25818163 0.86 DYRK1A (0.39) TLR7LMNADYRK1ATP53SMN1; SMN2
SCHEMBL31025950 0.83 TLR7 (0.45) TLR7LMNAGAAHTTTP53
SCHEMBL25258118 0.83 TLR7 (0.45) TLR7LMNAGAAHTTTP53
SCHEMBL31270997 0.83 STING1 (0.38) DYRK1ABRD4STING1
SCHEMBL25259439 0.83 STING1 (0.38) DYRK1ABRD4STING1
SCHEMBL25302704 0.80 TLR8 (0.41) TLR7DYRK1ABRD4STING1
SCHEMBL31270716 0.80 TLR8 (0.41) TLR7DYRK1ABRD4STING1
SCHEMBL25296984 0.78 TLR7 (0.67) TLR7

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