SCHEMBL5804254

SCHEMBL5804254

O=C(C[S])Nc1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.63
ALDH1A1 P00352 4/20 0.59
HDAC3 O15379 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 2/20 0.54
THRB P10828 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 2/20 0.52
MEN1 O00255 2/20 0.52
ATM Q13315 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
TGM2 P21980 1/20 0.50

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
SCHEMBL1753925 0.85 GAA (0.70) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL5806463 0.84 HDAC3 (0.62) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL9843748 0.81 GAA (0.66) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL6794740 0.81 GAA (0.66) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL1193345 0.79 NPC1 (0.63) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL5804322 0.79 SMN1; SMN2 (0.59) GAAALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL105772 0.79 GAA (0.63) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL1525924 0.79 GAA (0.63) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL5804257 0.79 GAA (0.63) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL5718053 0.79 GAA (0.63) GAAALDH1A1HDAC3HDAC1HDAC2

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-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed