SCHEMBL28937336

SCHEMBL28937336

CCCCc1nc(-c2ccc(OCCOCC)cc2)nn1-c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGER Q15109 16/20 0.53
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL28937328 0.87 AGER (0.51) AGERADORA3ADORA2AADORA2BADORA1
SCHEMBL30174339 0.87 AGER (0.68) AGER
SCHEMBL30174337 0.85 ADORA3 (0.53) AGERADORA3ADORA2AADORA2BADORA1
SCHEMBL28963348 0.85 AGER (0.64) AGERADORA3ADORA2AADORA2BADORA1
SCHEMBL28937340 0.84 AGER (0.61) AGERHSD17B10
SCHEMBL28937343 0.83 LTA4H (0.50) AGERNPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL30174333 0.82 AGER (0.62) AGERNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL28963347 0.82 AGER (0.47) AGERADORA3ADORA2A
SCHEMBL30174338 0.78 AGER (0.57) AGERADORA3
SCHEMBL28937339 0.75 ADORA3 (0.52) AGERADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350257-A Triazole compounds 广西医科大学 2025-01-24 CN disclosed
CN-115594642-B A Ji Ruige triazole derivative and application thereof in resisting breast cancer 广西医科大学 2024-12-27 CN disclosed
CN-115594642-A Az Ji Ruige triazole derivative and application thereof in resisting breast cancer 广西医科大学(CN) 2023-01-13 CN disclosed