Hypochlorous Acid

Hypochlorous Acid

SCHEMBL20787488

Cn1cc2cc(NC(=O)c3cccc(-c4ccc(F)nc4)n3)c(N3CCCCC3)cc2n1.OCl

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.52
▸ KCNH2 Q12809 2/20 0.42

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
SCHEMBL16906568 0.99 IRAK4 (0.52) IRAK4KCNH2
Hydrochloric Acid SCHEMBL16898774 0.98 IRAK4 (0.52) IRAK4KCNH2
SCHEMBL18392027 0.89 IRAK4 (0.65) IRAK4KCNH2
SCHEMBL16898757 0.87 IRAK4 (0.58) IRAK4KCNH2
SCHEMBL16899061 0.84 IRAK4 (0.65) IRAK4
Hydrochloric Acid SCHEMBL16899260 0.84 IRAK4 (0.64) IRAK4
SCHEMBL18391964 0.84 IRAK4 (0.62) IRAK4KCNH2
SCHEMBL16898791 0.84 IRAK4 (0.46) IRAK4KCNH2
Hydrochloric Acid SCHEMBL22437270 0.83 IRAK4 (0.46) IRAK4KCNH2
Hydrochloric Acid SCHEMBL20377753 0.83 IRAK4 (0.61) IRAK4KCNH2

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
EP-3092226-B1 INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2019-03-13 — — EP claimed
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