SCHEMBL7089970

SCHEMBL7089970

O=S(=O)(c1ccncc1)c1c[nH]c2ccc(Oc3c(C(F)(F)F)c[c]cc3C(F)(F)F)cc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
THRA P10827 7/20 0.40
THRB P10828 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
RXFP1 Q9HBX9 1/20 0.34
HTR1A P08908 2/20 0.33
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 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
SCHEMBL7090124 0.91 MAPT (0.48) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL7089058 0.89 MAPT (0.46) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL6520130 0.84 THRA (0.47) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL7090569 0.83 MAPT (0.47) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL7089688 0.83 MAPT (0.43) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL6516627 0.83 THRB (0.61) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL6523695 0.82 THRA (0.49) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL6511427 0.82 THRA (0.45) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL6516118 0.82 THRA (0.45) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL6514492 0.81 THRA (0.46) MAPTTHRATHRBSMN1; SMN2HTT

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