SCHEMBL31722801

SCHEMBL31722801

CC(C)(C)OC(=O)Nc1ncc(/C=C/CNC(=O)c2cc(Br)c[nH]2)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

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
NT5E P21589 2/20 0.46
KCNA2 P16389 1/20 0.46
MAP2K1 Q02750 1/20 0.46
VIP P01282 1/20 0.39
DAO P14920 1/20 0.36
CREBBP Q92793 1/20 0.36
PKM P14618 1/20 0.36
HRH3 Q9Y5N1 3/20 0.34
ADRA2A P08913 1/20 0.33
ADRA1D P25100 1/20 0.33
SCN9A Q15858 1/20 0.32
SCN3A Q9NY46 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL21182348 0.79 KCNA6 (1.00) KCNA6KCNA3KCNA4KCNA5NT5E
SCHEMBL13036733 0.79 KCNA6 (1.00) KCNA6KCNA3KCNA4KCNA5NT5E
Keramadine SCHEMBL11123417 0.68 KCNA6 (0.64) KCNA6KCNA3KCNA4KCNA5NT5E
SCHEMBL13074094 0.67 KCNA6 (0.74) KCNA6KCNA3KCNA4KCNA5NT5E
SCHEMBL15228546 0.65 KCNA6 (0.57) KCNA6KCNA3KCNA4KCNA5NT5E
SCHEMBL13036735 0.65 KCNA6 (0.67) KCNA6KCNA3KCNA4KCNA5NT5E
SCHEMBL15243719 0.65 KCNA6 (0.51) KCNA6KCNA3KCNA4KCNA5VIP
Oroidin SCHEMBL13036750 0.63 KCNA6 (1.00) KCNA6KCNA3KCNA4KCNA5NT5E
SCHEMBL31722807 0.62 ATR (0.38)
SCHEMBL7688627 0.62 MAPKAPK2 (0.39) SCN9A

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
CN-120904170-A Preparation method, intermediate and application of membranous element 上海陶术生物科技股份有限公司 2025-11-07 CN disclosed