Iodide

Iodide

SCHEMBL8924762

COc1ccc(-c2nc(-c3cccc(NC(=N)SC)c3)cs2)cc1OC.I

nearest known ligand 0.60

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
CDC25A P30304 1/20 0.52
CDC25B P30305 1/20 0.52
CDC25C P30307 1/20 0.52
DUSP3 P51452 1/20 0.52
PLAU P00749 2/20 0.52
CYP1A1 P04798 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP1B1 Q16678 2/20 0.52
MEN1 O00255 11/20 0.51
KMT2A Q03164 11/20 0.51
PAX8 Q06710 1/20 0.51
MAPT P10636 7/20 0.50
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL6198667 0.78 ALDH1A1 (0.72) PLAUCYP1A1CYP1A2CYP1B1MEN1
SCHEMBL8924580 0.76 PDE4A (0.55) CDC25ACDC25BCDC25CDUSP3CYP1A1
SCHEMBL19196243 0.76 MEN1 (0.63) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL10675056 0.76 MAPT (0.50) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6197622 0.75 ALDH1A1 (0.65) CYP1A1CYP1B1MEN1KMT2AMAPT
SCHEMBL2624591 0.75 MAPT (0.63) CDC25ACDC25BCDC25CDUSP3MEN1
SCHEMBL17336865 0.72 ALDH1A1 (0.61) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6198574 0.72 ALDH1A1 (0.76) PLAUCYP1A1CYP1A2CYP1B1MEN1
SCHEMBL6200225 0.72 ALDH1A1 (0.65) PLAUCYP1A1CYP1A2CYP1B1MEN1
SCHEMBL6197729 0.71 ALDH1A1 (0.67) PLAUCYP1A1CYP1A2CYP1B1MEN1

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
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed