SCHEMBL1754700

SCHEMBL1754700

COc1c(OCc2cccc(C(C)=O)c2)cccc1C1SC(c2ccc(F)cc2)=NN1C(=O)c1ccccc1O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.59
NR1H3 Q13133 14/20 0.59
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 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
SCHEMBL1754689 1.00 NR1H2 (0.59) NR1H2NR1H3MEN1KMT2A
SCHEMBL1753979 0.94 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL1754454 0.94 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL1754556 0.93 NR1H2 (0.58) NR1H2NR1H3
SCHEMBL1754643 0.93 NR1H2 (0.58) NR1H2NR1H3
SCHEMBL1754638 0.93 NR1H2 (0.65) NR1H2NR1H3MEN1KMT2A
SCHEMBL1754655 0.93 NR1H2 (0.59) NR1H2NR1H3KMT2A
SCHEMBL1754647 0.91 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL1754333 0.90 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL1754682 0.89 NR1H2 (0.67) NR1H2NR1H3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158662-B2 Compounds and compositions as LXR modulators HAMILTON (BM) 2012-04-17 US disclosed