Iodide

Iodide

SCHEMBL17870554

C[n+]1ccc(/C=C/c2ccc(N3CCCC3)cc2)cc1.[I-]

nearest known ligand 0.53

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 3/20 0.46
SNCA P37840 1/20 0.53
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 2/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPT P10636 6/20 0.52
APP P05067 3/20 0.52
CHAT P28329 2/20 0.52
PTGS2 P35354 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
ALPG P10696 1/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
GFER P55789 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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 SCHEMBL17870555 1.00 SNCA (0.53) SNCAALDH1A1KDM4ERAB9AHPGD
SCHEMBL16183105 0.98 PTGS2 (0.53) SNCAALDH1A1KDM4ERAB9AHPGD
SCHEMBL13645988 0.91 CHAT (0.53) SNCAALDH1A1KDM4ERAB9AHPGD
Iodide SCHEMBL17360021 0.87 ACHE (0.60) SNCAALDH1A1KDM4ERAB9AHPGD
Iodide SCHEMBL17360078 0.87 ACHE (0.60) ALDH1A1KDM4ERAB9AHPGDCYP2C19
Iodide SCHEMBL17360079 0.87 ACHE (0.60) ALDH1A1KDM4ERAB9AHPGDCYP2C19
Iodide SCHEMBL17360023 0.87 ACHE (0.60) SNCAALDH1A1KDM4ERAB9AHPGD
SCHEMBL17447274 0.85 MAPT (0.60) ALDH1A1KDM4ERAB9AHPGDCYP2C19
SCHEMBL17360043 0.85 MAPT (0.58) ALDH1A1KDM4ERAB9AHPGDCYP2C19
SCHEMBL17360041 0.85 MAPT (0.58) ALDH1A1KDM4ERAB9AHPGDCYP2C19

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
US-9766468-B2 Optical film DONGWOO FINE-CHEM CO., LTD. (KR) 2017-09-19 US disclosed
US-20160187663-A1 OPTICAL FILM DONGWOO FINE-CHEM CO., LTD. (KR) 2016-06-30 US disclosed