Iodide

Iodide

SCHEMBL10695908

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3cc[n+](CC(F)(F)F)cc3)CS[C@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1.[I-]

nearest known ligand 0.55

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
▸ KMT2A Q03164 1/20 0.55
▸ NR1I2 O75469 5/20 0.53
▸ PGR P06401 3/20 0.53
▸ PPARG P37231 3/20 0.52
▸ SLC22A6 Q4U2R8 2/20 0.52
▸ SLC22A8 Q8TCC7 2/20 0.52
▸ SLC22A11 Q9NSA0 2/20 0.52
▸ DAO P14920 1/20 0.52
▸ SNCA P37840 1/20 0.52
▸ CYP2J2 P51589 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ ABCC4 O15439 2/20 0.52
▸ MAPT P10636 5/20 0.51
▸ ALB P02768 1/20 0.51
▸ TDP1 Q9NUW8 5/20 0.46
▸ APEX1 P27695 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ RECQL P46063 2/20 0.46

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 SCHEMBL10696502 0.94 KMT2A (0.49) KMT2ANR1I2PGRPPARGSLC22A6
Iodide SCHEMBL10695810 0.94 KMT2A (0.56) KMT2ANR1I2PGRPPARGSLC22A6
Iodide SCHEMBL10706366 0.93 KMT2A (0.48) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL10528959 0.91 NR1I2 (0.56) KMT2ANR1I2PGRPPARGSLC22A6
Iodide SCHEMBL10694488 0.90 KMT2A (0.45) KMT2ANR1I2PGRPPARGSLC22A6
Iodide SCHEMBL10694616 0.89 NR1I2 (0.46) KMT2ANR1I2PGRPPARGSLC22A6
Bromide SCHEMBL10696509 0.89 KMT2A (0.54) KMT2ANR1I2PGRPPARGSLC22A6
Iodide SCHEMBL10693732 0.89 KMT2A (0.44) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL8747445 0.86 NR1I2 (0.57) KMT2ANR1I2PGRPPARGSLC22A6
Iodide SCHEMBL10959262 0.85 KMT2A (0.49) KMT2ANR1I2PGRPPARGSLC22A6

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-4785090-A ANTIBIOTICS, BACTERICIDES MEIJI SEIKA KAISHA, LTD. (JP) 1988-11-15 — — US disclosed
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