Iodide

Iodide

SCHEMBL10475201

CSC(=N)NCCCCNc1ccc(C2=NNC(=O)CC2C)cc1[N+](=O)[O-].I

nearest known ligand 0.71

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
GALR3 O60755 3/20 0.71
MAPT P10636 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
THRB P10828 1/20 0.54
PDE3B Q13370 12/20 0.52
PDE3A Q14432 12/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 2/20 0.52
GAA P10253 1/20 0.52
SLFN12 Q8IYM2 1/20 0.52
KDM4E B2RXH2 2/20 0.40
PRSS1 P07477 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39

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 SCHEMBL10474006 0.98 MAPT (0.71) GALR3MAPTSMN1; SMN2THRBPDE3B
Iodide SCHEMBL10474072 0.95 GALR3 (0.74) GALR3MAPTSMN1; SMN2THRBPDE3B
Iodide SCHEMBL10475228 0.88 GALR3 (0.58) GALR3MAPTSMN1; SMN2THRBPDE3B
SCHEMBL10475489 0.84 MAPT (0.74) GALR3MAPTSMN1; SMN2THRBPDE3B
Iodide SCHEMBL9729749 0.84 MAPT (0.51) GALR3MAPTSMN1; SMN2THRBPDE3B
SCHEMBL7273931 0.84 GALR3 (0.79) GALR3MAPTSMN1; SMN2THRBPDE3B
SCHEMBL16157214 0.84 MAPT (1.00) GALR3MAPTSMN1; SMN2THRBPDE3B
SCHEMBL7273469 0.82 MAPT (0.70) GALR3MAPTSMN1; SMN2THRBPDE3B
SCHEMBL7266906 0.82 GALR3 (0.79) GALR3MAPTSMN1; SMN2THRBPDE3B
SCHEMBL7275977 0.82 MAPT (0.62) GALR3MAPTSMN1; SMN2THRBPDE3B

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-4968683-A INOTROPIC, CARDIOTONIC HEUMANN PHARMA GMBH & CO. (DE) 1990-11-06 US disclosed