SCHEMBL30729422

SCHEMBL30729422

Cc1cn(-c2cccc(F)c2)c2ccc(C(=O)NS(C)(=O)=O)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 1.00
SCN2B O60939 17/20 1.00
SCN1B Q07699 17/20 1.00
SCN5A Q14524 12/20 1.00
SCN1A P35498 10/20 1.00

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
SCHEMBL6840243 0.83 SCN2B (0.70) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL29582698 0.74 HDAC1 (0.66) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL7990892 0.74 HDAC1 (0.66) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL6840201 0.69 SCN2B (0.68) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL14648095 0.69 MGLL (0.57) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL6840241 0.69 SCN2B (0.68) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL17027188 0.68 SCN9A (0.62) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL6840202 0.67 THRB (0.56) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL694175 0.66 SCN2B (0.49) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL31632800 0.66 SCN2B (0.49) SCN9ASCN2BSCN1BSCN5ASCN1A

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-117285453-A Method for synthesizing N-substituted-3-methylindole compound by catalyzing nitrogen heterocyclic carbene oxazoline ring palladium compound 南京林业大学 2023-12-26 CN disclosed