Iodide

Iodide

SCHEMBL31063752

C[n+]1c(C=CC=Cc2ccc(N3CCCCC3)cc2)sc2ccccc21.[I-]

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE known ✓ P22303 4/20 0.43
▸ SNCA P37840 2/20 0.86
▸ MAPT P10636 5/20 0.55
▸ NSD2 O96028 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ INSR P06213 1/20 0.49
▸ APP P05067 3/20 0.46
▸ ADRB2 P07550 2/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.38

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
Iodide SCHEMBL31063717 0.93 SNCA (1.00) SNCAMAPTNSD2MAPK1HTT
Iodide SCHEMBL31063609 0.91 SNCA (0.97) SNCAMAPTNSD2MAPK1HTT
SCHEMBL12333742 0.85 SNCA (0.64) SNCAMAPTNSD2MAPK1HTT
Iodide SCHEMBL31063786 0.82 SNCA (0.80) SNCAMAPTNSD2MAPK1HTT
Iodide SCHEMBL31063626 0.82 SNCA (0.80) SNCAMAPTNSD2MAPK1HTT
Iodide SCHEMBL31063768 0.82 SNCA (0.80) SNCAMAPTNSD2MAPK1HTT
Iodide SCHEMBL31063710 0.80 SNCA (0.77) SNCAMAPTNSD2MAPK1HTT
Iodide SCHEMBL31063782 0.79 SNCA (0.75) SNCAMAPTINSRAPPACHE
Iodide SCHEMBL31063743 0.79 SNCA (0.75) SNCAMAPTINSRAPPACHE
Iodide SCHEMBL31063936 0.78 SNCA (0.73) SNCAMAPTRAB9AINSRAPP

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
WO-2024200263-A1 2-STYRYLBENZOTHIAZOLE DERIVATIVES AS α-SYNUCLEIN BINDING COMPOUNDS EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2024-10-03 — — WO disclosed
EP-4438597-A1 2-STYRYLBENZOTHIAZOLE DERIVATIVES AS A-SYNUCLEIN BINDING COMPOUNDS Eberhard Karls Universität Tübingen Medizinische Fakultät (DE) 2024-10-02 — — EP disclosed
Send feedback