Iodide

Iodide

SCHEMBL28417346

C[n+]1ccc(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.[I-]

nearest known ligand 0.56

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
▸ CHAT P28329 4/20 0.56
▸ MEN1 O00255 9/20 0.53
▸ KMT2A Q03164 9/20 0.53
▸ RAB9A P51151 8/20 0.53
▸ USP2 O75604 6/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ ATM Q13315 2/20 0.53
▸ MITF O75030 1/20 0.53
▸ APOBEC3G Q9HC16 3/20 0.49
▸ TNNI3 P19429 1/20 0.49
▸ TNNT2 P45379 1/20 0.49
▸ TNNC1 P63316 1/20 0.49
▸ GPR35 Q9HC97 1/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MAPT P10636 4/20 0.48
▸ ALPG P10696 2/20 0.48

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 SCHEMBL28417347 1.00 CHAT (0.56) CHATMEN1KMT2ARAB9AUSP2
SCHEMBL29441870 0.85 KDM4E (0.64) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL14982726 0.85 KDM4E (0.64) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL13988760 0.85 KDM4E (0.64) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL31084773 0.85 KDM4E (0.64) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL13142004 0.85 KDM4E (0.64) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL16756631 0.85 KDM4E (0.64) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL15624213 0.83 CHAT (0.49) CHATMEN1KMT2ARAB9AUSP2
Iodide SCHEMBL29038331 0.82 KDM4E (0.52) ATMAPOBEC3GKDM4EAPOBEC3AL3MBTL1
SCHEMBL17905913 0.82 CHAT (0.54) CHATMEN1KMT2ARAB9AUSP2

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-111304778-A Method for preparing two-photon fluorescent skin-color spandex 华峰重庆氨纶有限公司 2020-06-19 — — CN disclosed
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