SCHEMBL28899129

SCHEMBL28899129

BrNc1cc(Br)cc(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.35
IDO1 P14902 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EPAS1 Q99814 1/20 0.31

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
SCHEMBL1686473 0.76 EPAS1 (0.41) ACP1IDO1GABRA1GABRB1GABRA2
SCHEMBL8794958 0.76 ACP1 (0.37) ACP1IDO1GABRA1GABRB1GABRA2
SCHEMBL28200762 0.75 ACP1 (0.33) ACP1IDO1GABRA1GABRB1GABRA2
Hydrochloric Acid SCHEMBL28200855 0.73 IDO1 (0.36) ACP1IDO1
SCHEMBL24617 0.73
SCHEMBL17629299 0.71
SCHEMBL1109742 0.71 HTR6 (0.44) ACP1IDO1GABRA1GABRB1GABRA2
SCHEMBL13953766 0.71 ACP1 (0.39) ACP1IDO1GABRA1GABRB1GABRA2
SCHEMBL11718014 0.71 IDO1 (0.39) ACP1IDO1GABRA1GABRB1GABRA2
SCHEMBL11649552 0.69 ACP1 (0.38) ACP1IDO1GABRA1GABRB1GABRA2

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-115232322-B Preparation method and application of organic conjugated polymer 大连海洋大学 2023-07-11 CN disclosed
CN-115232322-A Preparation method and application of organic conjugated polymer 大连海洋大学 2022-10-25 CN disclosed