Iodide

Iodide

SCHEMBL8993774

COc1cc2ccc(S(=O)(=O)NC3CCN(C(Cc4ccc(C(=N)N)cc4)C(=O)N4CCCCC4)C3=O)cc2cc1OC.I

nearest known ligand 0.59

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 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.59
F2 P00734 6/20 0.55
PRSS1 P07477 4/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
PLG P00747 2/20 0.50
PROC P04070 2/20 0.50
PLAT P00750 1/20 0.49

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
SCHEMBL8993699 0.99 F10 (0.59) F10F2PRSS1PRSS2PRSS3
SCHEMBL8993836 0.99 F10 (0.59) F10F2PRSS1PRSS2PRSS3
SCHEMBL8993720 0.96 F2 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL8993756 0.95 F2 (0.58) F10F2PRSS1PRSS2PRSS3
SCHEMBL8993808 0.93 F10 (0.68) F10F2PRSS1PLGPROC
SCHEMBL8993813 0.93 F10 (0.65) F10F2PRSS1PLGPROC
SCHEMBL8993788 0.92 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL8993747 0.92 F10 (0.59) F10F2PRSS1PRSS2PRSS3
SCHEMBL8993743 0.90 F10 (0.63) F10F2PRSS1PRSS2PRSS3
SCHEMBL8993767 0.90 F2 (0.62) F10F2PRSS1PRSS2PRSS3

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-5489583-A FOR TREATING OR PREVENTING THROMBOSIS BASF AKTIENGESELLSCHAFT (DE) 1996-02-06 US disclosed