SCHEMBL29128753

SCHEMBL29128753

[Fe].c1cc[n+](-c2cccc[n+]2-[n+]2ccccc2)cc1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC22A2 O15244 1/20 0.30
▸ SLC22A1 O15245 1/20 0.30
▸ SLC22A3 O75751 1/20 0.30
▸ SLC6A4 P31645 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
SCHEMBL1532288 0.98 SLC22A2 (0.31) SLC22A2SLC22A1SLC22A3SLC6A4
Hydrochloric Acid SCHEMBL29004524 0.95 CA12 (0.30) SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL29056348 0.95 SLC22A2 (0.30) SLC22A2SLC22A1SLC22A3SLC6A4
Hydrochloric Acid SCHEMBL29004526 0.93 — —
Water SCHEMBL29073159 0.91 — —
SCHEMBL7961763 0.85 — —
SCHEMBL29391746 0.84 — —
SCHEMBL28703067 0.67 TSHR (0.35) —
SCHEMBL30826352 0.67 — —
SCHEMBL4195335 0.67 HDAC8 (0.46) SLC22A2SLC22A1SLC22A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117050324-A Quinoxaline bridged terpyridine iron coordination polymer electrochromic material 南京林业大学 2023-11-14 — — CN disclosed
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