SCHEMBL7090893

SCHEMBL7090893

Cc1c[c]c(N)c(C)c1Oc1ccc2[nH]cc(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
RXFP1 Q9HBX9 2/20 0.38
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPN11 Q06124 1/20 0.34
THRA P10827 3/20 0.34
THRB P10828 3/20 0.34
TRPV1 Q8NER1 1/20 0.33
PTGS2 P35354 1/20 0.33
BACE1 P56817 1/20 0.33
HTR1A P08908 1/20 0.32

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
SCHEMBL7090864 0.90 MAPT (0.60) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL7085558 0.88 MAPT (0.47) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL7093569 0.88 MAPT (0.49) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL7093571 0.87 MAPT (0.53) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL7088502 0.84 MAPT (0.43) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL7092489 0.82 MAPT (0.54) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL7092492 0.81 MAPT (0.53) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL7090124 0.80 MAPT (0.48) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL7089088 0.79 MAPT (0.47) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL7088467 0.79 MAPT (0.47) 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