SCHEMBL5229376

SCHEMBL5229376

O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.81
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
GAA P10253 2/20 0.57
HTT P42858 1/20 0.57
FFAR4 Q5NUL3 1/20 0.54
HPGD P15428 1/20 0.51
SPR P35270 1/20 0.51

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
SCHEMBL4784539 0.81 MAPT (0.80) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL12789658 0.76 PPARG (0.64) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL5229664 0.76 MAPT (0.97) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL15761593 0.76 PPARG (0.58) KMT2AMEN1FFAR4
SCHEMBL20421277 0.74 FFAR1 (0.56) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7089033 0.74 TRPV1 (0.54) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL12462888 0.74 HTR6 (0.59) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL13605323 0.73 ALDH1A1 (0.76) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL30230090 0.73 FFAR1 (0.63) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL10706317 0.72 TSHR (0.63) MAPT

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-1519932-B1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LTD (GB) 2007-10-03 EP claimed