SCHEMBL323073

SCHEMBL323073

N#Cc1cccc(-c2ccccc2)c1-c1ccnnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.48
GABRB3 P28472 4/20 0.48
GABRA5 P31644 3/20 0.48
GABRA3 P34903 3/20 0.48
ESR2 Q92731 1/20 0.39
KCNH2 Q12809 1/20 0.38
LRRK2 Q5S007 1/20 0.38
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GALR3 O60755 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
UCHL1 P09936 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GABRA1 P14867 3/20 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
SCHEMBL29914913 0.83 ADORA2A (0.48) GABRG2GABRB3GABRA5GABRA3ALDH1A1
SCHEMBL565466 0.82 ESR2 (0.50) GABRG2GABRB3GABRA5GABRA3ESR2
SCHEMBL19194059 0.80 GABRG2 (0.55) GABRG2GABRB3GABRA5GABRA3ESR2
SCHEMBL30683491 0.80 GABRG2 (0.55) GABRG2GABRB3GABRA5GABRA3ESR2
SCHEMBL18411313 0.75 ESR2 (0.47) GABRG2GABRB3GABRA5GABRA3ESR2
SCHEMBL27365154 0.75 ESR2 (0.47) GABRG2GABRB3GABRA5GABRA3ESR2
SCHEMBL31663516 0.75 ESR2 (0.47) GABRG2GABRB3GABRA5GABRA3ESR2
SCHEMBL25774471 0.75 ESR2 (0.45) GABRG2GABRB3GABRA5GABRA3ESR2
SCHEMBL18411431 0.75 ESR2 (0.50) GABRG2GABRB3GABRA5GABRA3ESR2
SCHEMBL12679751 0.72 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3ESR2

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
EP-2590951-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-15 EP disclosed
WO-2012004743-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-12 WO disclosed