SCHEMBL7091728

SCHEMBL7091728

Cc1cc([C@@H](C)N)cc(C)c1Oc1ccc2[nH]cc(S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
RXFP1 Q9HBX9 2/20 0.40

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
SCHEMBL6514502 0.90 MAPT (0.49) MAPTTP53SMN1; SMN2KDM4EHDAC3
SCHEMBL6515302 0.90 MAPT (0.49) MAPTTP53SMN1; SMN2KDM4EHDAC3
SCHEMBL6514507 0.90 MAPT (0.49) MAPTTP53SMN1; SMN2KDM4EHDAC3
SCHEMBL7087709 0.89 MAPT (0.47) MAPTTP53SMN1; SMN2KDM4EHDAC3
SCHEMBL7089217 0.89 MAPT (0.47) MAPTTP53SMN1; SMN2KDM4EHDAC3
SCHEMBL7092430 0.89 MAPT (0.47) MAPTTP53SMN1; SMN2KDM4EHDAC3
SCHEMBL6515951 0.84 THRB (0.50) MAPTSMN1; SMN2KDM4EHDAC3HDAC4
SCHEMBL6511198 0.84 THRB (0.50) MAPTSMN1; SMN2KDM4EHDAC3HDAC4
SCHEMBL6513233 0.83 MAPT (0.59) MAPTTP53SMN1; SMN2KDM4EHDAC3
SCHEMBL6519245 0.83 MAPT (0.59) MAPTTP53SMN1; SMN2KDM4EHDAC3

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