SCHEMBL28963348

SCHEMBL28963348

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGER Q15109 7/20 0.64
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ADORA3 P0DMS8 9/20 0.44
ADORA2A P29274 3/20 0.43
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL28937339 0.90 ADORA3 (0.52) AGERHDAC1HDAC6ADORA3ADORA2A
SCHEMBL30174337 0.89 ADORA3 (0.53) AGERHDAC1HDAC6ADORA3ADORA2A
SCHEMBL28937328 0.89 AGER (0.51) AGERADORA3ADORA2AADORA2BADORA1
SCHEMBL28937336 0.85 AGER (0.53) AGERADORA3ADORA2AADORA2BADORA1
SCHEMBL30174339 0.83 AGER (0.68) AGER
SCHEMBL28963347 0.82 AGER (0.47) AGERADORA3ADORA2A
SCHEMBL28937340 0.81 AGER (0.61) AGERLTA4H
SCHEMBL30174333 0.79 AGER (0.62) AGERADORA3ADORA2AADORA2BADORA1
SCHEMBL1143005 0.78 AGER (1.00) AGERLTA4H
SCHEMBL28937343 0.78 LTA4H (0.50) AGERADORA3ADORA2AADORA2BADORA1

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