SCHEMBL12459449

SCHEMBL12459449

O=C(NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC2)cc1)c1ccc(C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 2/20 0.52
HTT P42858 1/20 0.51
ALDH1A1 P00352 7/20 0.50
TRPV4 Q9HBA0 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL12459304 0.88 GAA (0.58) GAASMN1; SMN2POLBHTTALDH1A1
SCHEMBL12459274 0.83 EPHX2 (0.53) GAASMN1; SMN2POLBHTTALDH1A1
SCHEMBL12458726 0.82 GAA (0.68) GAASMN1; SMN2POLBHTTALDH1A1
SCHEMBL12675242 0.81 HTT (0.44) GAASMN1; SMN2POLBHTTALDH1A1
SCHEMBL12459286 0.80 ALDH1A1 (0.75) GAASMN1; SMN2POLBHTTALDH1A1
SCHEMBL12675032 0.79 MEN1 (0.51) SMN1; SMN2POLBHTTALDH1A1TRPV4
SCHEMBL12459439 0.79 TRPV4 (0.59) GAASMN1; SMN2POLBHTTALDH1A1
SCHEMBL12459303 0.77 FLT1 (0.64) GAASMN1; SMN2POLBHTTALDH1A1
SCHEMBL12459445 0.76 ALDH1A1 (0.56) GAASMN1; SMN2POLBHTTALDH1A1
SCHEMBL12674697 0.76 MEN1 (0.53) GAASMN1; SMN2POLBHTTALDH1A1

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
WO-2011102514-A1 AROMATIC RING COMPOUND 武田薬品工業株式会社 (JP) 2011-08-25 WO disclosed