Iodide

Iodide

SCHEMBL11174263

CCc1ccccc1NC(=N)SC.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
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
HTT P42858 2/20 0.49
POLB P06746 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 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 SCHEMBL11162985 0.82 L3MBTL1 (0.55) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL6154940 0.80 ALDH1A1 (0.58) KMT2AMAPTALDH1A1GAAHTT
Iodide SCHEMBL11164966 0.77 NPC1 (0.52) KMT2AMAPTALDH1A1HTTPOLB
SCHEMBL8029769 0.77 MAPT (0.59) KMT2AMAPTALDH1A1GAAHTT
Iodide SCHEMBL11164129 0.75 LMNA (0.44) KMT2AMAPTALDH1A1GAAPOLB
Iodide SCHEMBL11167173 0.75 HTT (0.47) KMT2AMAPTGAAHTTLMNA
SCHEMBL28283706 0.75 MAPT (0.53) KMT2AMAPTALDH1A1GAAHTT
SCHEMBL14122825 0.74 ALDH1A1 (0.51) KMT2AMAPTALDH1A1GAAHTT
SCHEMBL27935930 0.74 MAPT (0.54) KMT2AMAPTALDH1A1GAAHTT
Iodide SCHEMBL1286920 0.74 KDM4E (0.53) KMT2AMAPTALDH1A1GAAMEN1

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-4414211-A HYPOGLYCEMIC/- MCNEILAB, INC. (US) 1983-11-08 US disclosed