SCHEMBL28280378

SCHEMBL28280378

BrCCCCCCn1ccnc1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.79
HMOX1 P09601 1/20 0.53
NOS1 P29475 1/20 0.53

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
SCHEMBL21839255 1.00 TBXAS1 (0.79) TBXAS1HMOX1NOS1
SCHEMBL28281551 1.00 TBXAS1 (0.79) TBXAS1HMOX1NOS1
Bromide SCHEMBL28915325 0.98 TBXAS1 (0.76) TBXAS1HMOX1NOS1
Bromide SCHEMBL28914614 0.98 TBXAS1 (0.76) TBXAS1HMOX1NOS1
SCHEMBL2473495 0.98 TBXAS1 (0.75) TBXAS1HMOX1NOS1
Bromide SCHEMBL10851882 0.96 TBXAS1 (0.72) TBXAS1HMOX1NOS1
SCHEMBL1052113 0.91
Bromide SCHEMBL6635203 0.89 TBXAS1 (0.68) TBXAS1HMOX1NOS1
SCHEMBL939851 0.89 TBXAS1 (1.00) TBXAS1
SCHEMBL1679410 0.89 TBXAS1 (1.00) TBXAS1

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
CN-117504594-A Application of poly (arylene ether sulfone) anion exchange membrane in electrodialysis concentration of acid 浙江工业大学 2024-02-06 CN disclosed
CN-109336944-A Celastrol imdazole derivatives and preparation method thereof and purposes 中国药科大学 2019-02-15 CN disclosed