SCHEMBL16239781

SCHEMBL16239781

CC(Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.41
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
EGFR P00533 1/20 0.32
PDGFRB P09619 3/20 0.31
KDR P35968 3/20 0.31
FFAR1 O14842 1/20 0.31
DGAT1 O75907 2/20 0.31
LPL P06858 2/20 0.31
LIPG Q9Y5X9 2/20 0.31
ESR2 Q92731 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
SCHEMBL16175379 0.87 AAK1 (0.41) AAK1GSK3AGSK3BEGFRPDGFRB
SCHEMBL19399964 0.79 GSK3A (0.39) AAK1GSK3AGSK3BEGFRPDGFRB
SCHEMBL2067944 0.78 AAK1 (0.38) AAK1GSK3AGSK3BEGFRPDGFRB
SCHEMBL30988760 0.73 LPL (0.41) AAK1GSK3AGSK3BEGFRPDGFRB
SCHEMBL10380169 0.73 LPL (0.41) AAK1GSK3AGSK3BEGFRPDGFRB
SCHEMBL16175400 0.73 AAK1 (0.47) AAK1GSK3AGSK3BEGFRPDGFRB
SCHEMBL15555994 0.73 DGAT1 (0.37) AAK1GSK3AGSK3BEGFRPDGFRB
SCHEMBL16175121 0.72 AAK1 (0.46) AAK1GSK3AGSK3BEGFRPDGFRB
SCHEMBL16239554 0.72 ALOX15 (0.35) ESR2
SCHEMBL9948119 0.71 GSK3A (0.36) AAK1GSK3AGSK3BEGFRPDGFRB

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
EP-2593431-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-19 EP disclosed