SCHEMBL7090569

SCHEMBL7090569

Cc1c[c]cc(C(F)(F)F)c1Oc1ccc2[nH]cc(S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
THRA P10827 6/20 0.41
THRB P10828 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MEN1 O00255 6/20 0.38

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
SCHEMBL7089688 0.89 MAPT (0.43) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL7093571 0.85 MAPT (0.53) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL7091960 0.85 MAPT (0.55) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL7090124 0.84 MAPT (0.48) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL7089970 0.83 MAPT (0.45) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL7092628 0.82 MAPT (0.67) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL7090098 0.81 MAPT (0.41) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL6512575 0.81 THRA (0.60) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL7090097 0.81 MAPT (0.66) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL7093569 0.79 MAPT (0.49) 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