Iodide

Iodide

SCHEMBL9306854

CCCCCCCCCCCCCCOc1cccc(C(=O)NCc2ccc[n+](CC)c2)c1OC.[I-]

nearest known ligand 0.45

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
HPGD P15428 2/20 0.45
CNR2 P34972 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
APEX1 P27695 3/20 0.42
CNR1 P21554 1/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
EPHX2 P34913 1/20 0.41

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 SCHEMBL9305590 0.88 CNR1 (0.43) CNR2NPSR1CNR1MEN1KMT2A
Iodide SCHEMBL9307079 0.85 HPGD (0.47) HPGDCNR2TP53GLANPSR1
Iodide SCHEMBL9307682 0.82 THRA (0.48) HPGDCNR2TP53GLAMEN1
Iodide SCHEMBL9306657 0.82 THRA (0.48) HPGDCNR2TP53GLAMEN1
Iodide SCHEMBL9307357 0.82 SMPD1 (0.56) CNR2NPSR1
Iodide SCHEMBL9306480 0.82 SMPD1 (0.56) CNR2NPSR1
Iodide SCHEMBL9306570 0.81 NPSR1 (0.43) HPGDCNR2TP53GLANPSR1
Iodide SCHEMBL9309538 0.80 HSD17B10 (0.57) CNR2NPSR1CNR1MEN1KMT2A
Iodide SCHEMBL9307156 0.80 HSD17B10 (0.57) CNR2NPSR1CNR1MEN1KMT2A
Iodide SCHEMBL9307832 0.78 NPSR1 (0.44) HPGDCNR2TP53GLANPSR1

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-5328921-A Antagonist of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed