SCHEMBL7093101

SCHEMBL7093101

Cc1cc([S])cc(C(F)(F)F)c1Oc1ccc2[nH]cc(C(C)C)c2c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 15/20 0.62
THRB P10828 15/20 0.62
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
AR P10275 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL7089815 0.88 THRA (0.61) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7090062 0.88 THRB (0.61) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7140868 0.83 THRA (0.58) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7082352 0.83 THRA (0.69) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL6520173 0.82 THRA (0.89) THRATHRB
SCHEMBL6521764 0.81 THRB (0.72) THRATHRB
SCHEMBL6514074 0.80 THRA (0.89) THRATHRB
SCHEMBL6519479 0.80 THRA (0.74) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL6516990 0.80 THRA (0.74) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL6524689 0.80 THRB (0.77) THRATHRBHTR2AHTR2CHTR2B

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