SCHEMBL7092885

SCHEMBL7092885

Nc1[c]cc(Br)c(Oc2ccc3[nH]cc(S(=O)(=O)c4ccccc4)c3c2)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MET P08581 1/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
TP53 P04637 2/20 0.36

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
SCHEMBL7086541 0.91 MAPT (0.43) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL7093569 0.82 MAPT (0.49) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL7090098 0.79 MAPT (0.41) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL7089217 0.77 MAPT (0.47) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL6512798 0.76 HDAC3 (0.46) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL6512792 0.76 HDAC3 (0.46) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL6515164 0.76 HDAC3 (0.46) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL7084609 0.76 MAPT (0.61) MAPTSMN1; SMN2HTTLMNAKDM4E
SCHEMBL6514290 0.75 MAPT (0.45) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL6512816 0.75 THRB (0.50) MAPTHDAC3HDAC4HDAC1HDAC7

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