Keramadine

Keramadine

SCHEMBL11123414

Cn1c(/C=C\CNC(=O)c2cc(Br)c[nH]2)cnc1N

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNA6 P17658 9/20 0.64
▸ KCNA3 P22001 9/20 0.64
▸ KCNA4 P22459 9/20 0.64
▸ KCNA5 P22460 3/20 0.64
▸ VIP P01282 2/20 0.46
▸ NT5E P21589 2/20 0.43
▸ KCNA2 P16389 1/20 0.43
▸ MAP2K1 Q02750 1/20 0.43
▸ CREBBP Q92793 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ DAO P14920 1/20 0.38
▸ CBLB Q13191 3/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37
▸ IDO1 P14902 1/20 0.36

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
Keramadine SCHEMBL11123417 1.00 KCNA6 (0.64) KCNA6KCNA3KCNA4KCNA5VIP
SCHEMBL21182348 0.78 KCNA6 (1.00) KCNA6KCNA3KCNA4KCNA5VIP
SCHEMBL13036733 0.78 KCNA6 (1.00) KCNA6KCNA3KCNA4KCNA5VIP
SCHEMBL13036735 0.74 KCNA6 (0.67) KCNA6KCNA3KCNA4KCNA5VIP
SCHEMBL15228546 0.70 KCNA6 (0.57) KCNA6KCNA3KCNA4KCNA5VIP
SCHEMBL15232609 0.70 KCNA6 (0.57) KCNA6KCNA3KCNA4KCNA5VIP
SCHEMBL31722801 0.68 KCNA6 (0.64) KCNA6KCNA3KCNA4KCNA5VIP
SCHEMBL15243719 0.67 KCNA6 (0.51) KCNA6KCNA3KCNA4KCNA5VIP
SCHEMBL23952430 0.64 CREBBP (0.67) KCNA6KCNA3KCNA4KCNA5VIP
SCHEMBL15598660 0.64 PKM (0.48) KCNA6KCNA3KCNA4KCNA5VIP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59231085-A — — None — — JP disclosed
CN-117402090-A Application of DES catalyst in ortho-position amino bromide and synthesis method of ortho-position amino bromide 大连大学 2024-01-16 — — CN disclosed
CN-112778155-B Tucarbaryl derivatives and uses thereof 大连万春布林医药有限公司 2023-08-11 — — CN disclosed
JP-S59231085-A ALKALOID MITSUBISHI CHEM IND LTD 1984-12-25 — — JP disclosed
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