SCHEMBL31468673

SCHEMBL31468673

NC(=O)c1nccc(N2CCCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.49
PARP1 P09874 2/20 0.48
PRKD3 O94806 1/20 0.46
PRKD1 Q15139 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
CDK8 P49336 1/20 0.44
SORD Q00796 2/20 0.43
MAP4K4 O95819 2/20 0.43
CDC7 O00311 1/20 0.43
ROCK2 O75116 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
GBA1 P04062 1/20 0.42
NPC1 O15118 1/20 0.41
HRH3 Q9Y5N1 4/20 0.41
HRH4 Q9H3N8 1/20 0.41
UBE2T Q9NPD8 1/20 0.40
KMO O15229 1/20 0.39

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
SCHEMBL4060308 0.84 HRH3 (0.60) PRKD3PRKD1PRKD2HRH3HRH4
SCHEMBL509736 0.84 SORD (0.61) CXCR4PARP1SORDGBA1HRH3
SCHEMBL21880062 0.83 KMO (0.53) CXCR4PARP1SORDCDC7GBA1
SCHEMBL4350540 0.82 HRH3 (0.48) PARP1SORDHRH3HRH4KDM4E
SCHEMBL4197090 0.81 HRH3 (0.46) SORDHRH3HRH4
SCHEMBL10214505 0.78 CXCR4 (0.44) CXCR4PARP1SORDGBA1KMO
SCHEMBL509702 0.76 CXCR4 (0.45) CXCR4SORDGBA1HRH3HRH4
SCHEMBL30290310 0.74 PRKD3 (0.62) PRKD3PRKD1PRKD2CDK8MAP4K4
SCHEMBL3129544 0.74 ALDH1A1 (0.48) PARP1PRKD3PRKD1PRKD2GBA1
SCHEMBL10932400 0.74 HRH3 (0.69) CXCR4MAP4K4HRH3HRH4TSHR

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
CN-119661413-B Kv7 potassium ion channel opener and preparation method and application thereof 齐鲁医药学院 2025-06-24 CN disclosed
CN-119661413-A Kv7 potassium ion channel opener and preparation method and application thereof 齐鲁医药学院 2025-03-21 CN disclosed