SCHEMBL20485

SCHEMBL20485

[2H]C(F)c1cc(C)ccc1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
MEP1B Q16820 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
CASP6 P55212 1/20 0.35
ELAVL1 Q15717 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 2/20 0.34
MYC P01106 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
MPL P40238 1/20 0.33
AMY1A P0DUB6 1/20 0.33
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL14721068 0.87 ALDH1A1 (0.33) ALDH1A1GAAMEP1BMEN1KMT2A
SCHEMBL30278562 0.86 ALDH1A1 (0.36) ALDH1A1GAAMEP1BMEN1KMT2A
SCHEMBL776513 0.86 ALDH1A1 (0.36) ALDH1A1GAAMEP1BMEN1KMT2A
SCHEMBL31544811 0.86 ALDH1A1 (0.36) ALDH1A1GAAMEP1BMEN1KMT2A
SCHEMBL242277 0.83 TAAR1 (0.38) ALDH1A1GAAMEP1BMEN1KMT2A
SCHEMBL30439901 0.83 MPL (0.36) ALDH1A1GAAMEP1BMEN1KMT2A
SCHEMBL30439756 0.83 ALDH1A1 (0.35) ALDH1A1GAAMEP1BMEN1KMT2A
SCHEMBL1607815 0.82 RAPGEF4 (0.44) ALDH1A1GAAMEP1BMEN1KMT2A
SCHEMBL30236538 0.82 RAPGEF4 (0.44) ALDH1A1GAAMEP1BMEN1KMT2A
SCHEMBL1180196 0.82 GAA (0.41) ALDH1A1GAAMEP1BMEN1KMT2A

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-2012025464-A1 FLUORODEUTERIOMETHYL TYROSINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-01 WO disclosed