SCHEMBL7090124

SCHEMBL7090124

O=S(=O)(c1ccc(C(F)(F)F)cc1)c1c[nH]c2ccc(Oc3c(C(F)(F)F)c[c]cc3C(F)(F)F)cc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.41
THRA P10827 6/20 0.41
THRB P10828 6/20 0.41
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 2/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
RXFP1 Q9HBX9 2/20 0.36
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL7089970 0.91 MAPT (0.45) MAPTSMN1; SMN2HTTLMNAKDM4E
SCHEMBL7088467 0.89 MAPT (0.47) MAPTSMN1; SMN2HTTLMNAKDM4E
SCHEMBL7093571 0.89 MAPT (0.53) MAPTSMN1; SMN2HTTLMNAKDM4E
SCHEMBL7089088 0.89 MAPT (0.47) MAPTSMN1; SMN2HTTLMNAKDM4E
SCHEMBL7088502 0.86 MAPT (0.43) MAPTSMN1; SMN2HTTLMNAKDM4E
SCHEMBL7089688 0.84 MAPT (0.43) MAPTSMN1; SMN2HTTLMNAKDM4E
SCHEMBL7090569 0.84 MAPT (0.47) MAPTSMN1; SMN2HTTLMNAKDM4E
SCHEMBL6513090 0.84 THRA (0.47) MAPTSMN1; SMN2HTTLMNAKDM4E
SCHEMBL6862290 0.83 THRB (0.62) MAPTSMN1; SMN2HTTLMNAKDM4E
SCHEMBL6514087 0.82 THRA (0.50) MAPTSMN1; SMN2HTTLMNAKDM4E

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