Iodide

Iodide

SCHEMBL5455905

CCCCC(CC)C[n+]1ccc(-c2cc[n+](CC(CC)CCCC)cc2)cc1.[I-].[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
HTT P42858 3/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 7/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 4/20 0.39
TSHR P16473 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
BDKRB2 P30411 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
SCHEMBL13061797 0.98 MEN1 (0.52) HTTLMNAKDM4ENPC1RAB9A
SCHEMBL12566375 0.89 MAPT (0.43) HTTLMNAKDM4ENPC1RAB9A
SCHEMBL13602108 0.86 MEN1 (0.41) HTTLMNAKDM4ENPC1RAB9A
Iodide SCHEMBL7861647 0.85 LMNA (0.47) HTTLMNAKDM4ENPC1RAB9A
SCHEMBL18883514 0.83 MEN1 (0.39) HTTLMNAKDM4ENPC1RAB9A
SCHEMBL28596285 0.83 MEN1 (0.39) HTTLMNAKDM4ENPC1RAB9A
SCHEMBL3447497 0.83 ALDH1A1 (0.48) HTTLMNASMN1; SMN2MEN1TP53
Hydrochloric Acid SCHEMBL3446376 0.82 LMNA (0.47) HTTLMNANPC1RAB9ASMN1; SMN2
Bromide SCHEMBL5683015 0.82 CHKA (0.50) HTTLMNASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9342255 0.81 CHRM2 (0.45) HTTLMNAKDM4ESMN1; SMN2MEN1

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
US-20070020479-A1 Luminescent-polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-25 US disclosed