SCHEMBL7086738

SCHEMBL7086738

COc1ccc(S(=O)(=O)c2c[nH]c3ccc(Oc4c(C(F)(F)F)c[c]c(N)c4C(F)(F)F)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 5/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.38
FFAR4 Q5NUL3 1/20 0.37
THRA P10827 4/20 0.37
THRB P10828 4/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
RXFP1 Q9HBX9 1/20 0.34
BACE1 P56817 1/20 0.34
HTR6 P50406 1/20 0.33
GAA P10253 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL7088502 0.92 MAPT (0.43) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL7090098 0.91 MAPT (0.41) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL7087285 0.81 MAPT (0.59) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL7087289 0.81 MAPT (0.58) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL7090082 0.80 MAPT (0.55) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL7090893 0.78 MAPT (0.48) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL7090270 0.78 THRA (0.56) THRATHRB
SCHEMBL7090124 0.78 MAPT (0.48) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL6524668 0.77 MAPT (0.53) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL6512430 0.77 MAPT (0.51) MAPTSMN1; SMN2HTTLMNATP53

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-1347959-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
WO-2002051805-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO disclosed