SCHEMBL5560228

SCHEMBL5560228

Cc1oc(C=Cc2ccccc2)nc1CN1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CC1S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 16/20 0.37
▸ NR1H3 Q13133 5/20 0.37
▸ NR1H2 P55055 1/20 0.34
▸ NR1I2 O75469 1/20 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
SCHEMBL5560226 1.00 RORC (0.37) RORCNR1H3NR1H2NR1I2
SCHEMBL1811564 0.88 MEN1 (0.36) RORCNR1H3NR1H2
SCHEMBL1811565 0.88 MEN1 (0.36) RORCNR1H3NR1H2
SCHEMBL1810361 0.73 NR1H2 (0.43) NR1H3NR1H2
SCHEMBL1812680 0.72 MEN1 (0.36) RORCNR1H3NR1H2NR1I2
SCHEMBL1807525 0.71 NR1H3 (0.37) RORCNR1H3NR1H2NR1I2
SCHEMBL1811946 0.70 ALDH1A1 (0.44) NR1H3NR1H2
SCHEMBL1808071 0.69 KMT2A (0.43) NR1H3NR1H2
SCHEMBL1812088 0.69 NR1H2 (0.38) NR1H3NR1H2
SCHEMBL1810890 0.68 POLB (0.41) —

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-1756096-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 — — EP disclosed
WO-2005105791-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 — — WO disclosed
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