SCHEMBL26640974

SCHEMBL26640974

CC(C)(C)CCSc1nc(Cl)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.39
HASPIN Q8TF76 2/20 0.33
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1833875 0.84 TLR7 (0.36) TLR7
SCHEMBL1254741 0.82 TLR7 (0.51) TLR7HASPINMAPTALDH1A1
SCHEMBL1829942 0.79 HASPIN (0.44) TLR7HASPINMAPTALDH1A1
SCHEMBL10074072 0.78 HASPIN (0.40) TLR7HASPINMAPTALDH1A1
SCHEMBL7480837 0.78 TLR7 (0.43) TLR7HASPINMAPTALDH1A1
SCHEMBL28429276 0.76 TLR7 (0.34) TLR7
SCHEMBL16019753 0.74 TLR7 (0.47) TLR7HASPINMAPTALDH1A1
SCHEMBL7564825 0.73 TLR7 (0.47) TLR7HASPINMAPTALDH1A1
SCHEMBL1760875 0.72 KMT2A (0.46) TLR7HASPINMAPTALDH1A1
SCHEMBL11780377 0.71 MAPT (0.36) TLR7MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023213198-A1 USE OF AROMATIC FUSED RING COMPOUND AS TREK-1 ACTIVATOR, AND PHARMACEUTICAL COMPOSITION AND ANALGESIC CONTAINING SAME 华东师范大学 2023-11-09 WO disclosed
CN-117003756-A Use of aromatic condensed-cyclic compounds as TREK-1 activators, pharmaceutical compositions containing same, analgesics 华东师范大学 2023-11-07 CN disclosed