SCHEMBL7087515

SCHEMBL7087515

O=S(=O)(c1ccncc1)c1c[nH]c2ccc(Oc3c(Br)cc([S])cc3Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 3/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 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
SCHEMBL7088514 0.90 MAPT (0.56) MAPTSMN1; SMN2HTTLMNAKDM4E
SCHEMBL7091279 0.87 MAPT (0.48) MAPTSMN1; SMN2HTTLMNAKDM4E
SCHEMBL7090788 0.87 MAPT (0.54) MAPTSMN1; SMN2HTTLMNAKDM4E
SCHEMBL6860610 0.86 MAPT (0.43) MAPTSMN1; SMN2HTTLMNAKDM4E
SCHEMBL6513862 0.85 THRB (0.44) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL6511123 0.84 MAPT (0.44) MAPTSMN1; SMN2HTTLMNAKDM4E
SCHEMBL6515470 0.83 MAPT (0.41) MAPTSMN1; SMN2HTTLMNAKDM4E
SCHEMBL6515475 0.83 MAPT (0.41) MAPTSMN1; SMN2HTTLMNAKDM4E
SCHEMBL6515751 0.83 MAPT (0.41) MAPTSMN1; SMN2HTTLMNAKDM4E
SCHEMBL6515511 0.83 IMPDH2 (0.43) 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