SCHEMBL16174992

SCHEMBL16174992

CC1(C)OB(c2cnc(OCC(F)(F)C(F)(F)F)c(Cl)c2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.47
DGAT1 O75907 2/20 0.37
ALPL P05186 1/20 0.33
PDGFRB P09619 2/20 0.33
KDR P35968 2/20 0.33
FFAR1 O14842 1/20 0.33
IDH1 O75874 4/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
EGFR P00533 1/20 0.31
LPL P06858 1/20 0.30
LIPG Q9Y5X9 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
SCHEMBL15555039 0.90 AAK1 (0.49) AAK1DGAT1ALPLPDGFRBKDR
SCHEMBL10324441 0.89 AAK1 (0.51) AAK1DGAT1ALPLPDGFRBKDR
SCHEMBL365904 0.85 AAK1 (0.51) AAK1DGAT1ALPLPDGFRBKDR
SCHEMBL16175289 0.82 AAK1 (0.43) AAK1DGAT1ALPLPDGFRBKDR
SCHEMBL22484225 0.81 AAK1 (0.42) AAK1DGAT1ALPLPDGFRBKDR
SCHEMBL27314904 0.81 AAK1 (0.45) AAK1DGAT1ALPLPDGFRBKDR
SCHEMBL30864874 0.81 AAK1 (0.45) AAK1DGAT1ALPLPDGFRBKDR
SCHEMBL16175400 0.80 AAK1 (0.47) AAK1DGAT1ALPLPDGFRBKDR
SCHEMBL367669 0.79 AAK1 (0.43) AAK1DGAT1ALPLPDGFRBKDR
SCHEMBL26464168 0.79 AAK1 (0.51) AAK1DGAT1ALPLPDGFRBKDR

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-2593431-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-19 EP disclosed
EP-2593432-B1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2014-10-22 EP disclosed