SCHEMBL370604

SCHEMBL370604

CCC(Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.43
SCN9A Q15858 2/20 0.39
DGAT1 O75907 2/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ALPL P05186 1/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
FFAR1 O14842 1/20 0.31
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL370605 1.00 AAK1 (0.43) AAK1SCN9ADGAT1GSK3AGSK3B
SCHEMBL367669 0.85 AAK1 (0.43) AAK1SCN9ADGAT1GSK3AGSK3B
SCHEMBL364697 0.84 AAK1 (0.47) AAK1DGAT1GSK3AGSK3BALPL
SCHEMBL10198423 0.84 AAK1 (0.47) AAK1DGAT1GSK3AGSK3BALPL
SCHEMBL1690230 0.84 AAK1 (0.47) AAK1DGAT1GSK3AGSK3BALPL
SCHEMBL16175121 0.81 AAK1 (0.46) AAK1DGAT1GSK3AGSK3BALPL
SCHEMBL16175226 0.81 AAK1 (0.43) AAK1SCN9ADGAT1GSK3AGSK3B
SCHEMBL365161 0.80 AAK1 (0.44) AAK1SCN9ADGAT1GSK3AGSK3B
SCHEMBL15555039 0.79 AAK1 (0.49) AAK1SCN9ADGAT1GSK3AGSK3B
SCHEMBL30864874 0.79 AAK1 (0.45) AAK1DGAT1GSK3AGSK3BALPL

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-2593432-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-22 EP disclosed
WO-2012007861-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-19 WO disclosed