Iodide

Iodide

SCHEMBL27281690

Cc1cc(C)cc(C(=O)CN2C=CN(C)C2)c1.I

nearest known ligand 0.36

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
▸ TPMT P51580 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GRIN2B Q13224 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HTR3D Q70Z44 1/20 0.33
▸ HTR3C Q8WXA8 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ALOX15 P16050 1/20 0.30

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
SCHEMBL30278566 0.84 CTNNB1 (0.43) HPGDALDH1A1NPSR1GRIN2BMEN1
SCHEMBL10529171 0.84 CTNNB1 (0.43) HPGDALDH1A1NPSR1GRIN2BMEN1
SCHEMBL10531146 0.83 KMT2A (0.50) ALDH1A1GRIN2BMEN1KMT2AMAPT
Bromide SCHEMBL10528581 0.82 CTNNB1 (0.42) HPGDALDH1A1NPSR1GRIN2BMEN1
Hydrochloric Acid SCHEMBL10531143 0.81 KMT2A (0.49) ALDH1A1NPSR1GRIN2BMEN1KMT2A
Bromide SCHEMBL10528564 0.81 KMT2A (0.49) ALDH1A1GRIN2BMEN1KMT2AMAPT
Bromide SCHEMBL3854391 0.80 ALDH1A1 (0.48) HPGDALDH1A1MEN1KMT2AMAPT
Phosphoric Acid SCHEMBL10864885 0.79 HPGD (0.40) HPGDALDH1A1GRIN2BMEN1KMT2A
SCHEMBL28841345 0.79 MAPT (0.41) ALDH1A1MAPTALOX15
Bromide SCHEMBL10528514 0.78 MAPT (0.40) ALDH1A1MAPTALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1013444-B PROCESS FOR THE PREPARATION OF A NOVEL CLASS OF HYPOGLYCEMIC AGENTS LILLY CO ELI (US) 1991-08-07 — — CN disclosed
CN-85108115-A The preparation method of new low point hypoglycaemic agent — 1986-07-30 — — CN disclosed
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