SCHEMBL17860362

SCHEMBL17860362

CN1C(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3Cc4ccccc4C3)CC[C@@H]21

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 3/20 0.69
PLCG1 P19174 4/20 0.60
PLCB3 Q01970 4/20 0.60
CASP6 P55212 1/20 0.54
RAF1 P04049 11/20 0.41
BRAF P15056 8/20 0.41
LCK P06239 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL16980367 0.94 PAX8 (0.65) PAX8PLCG1PLCB3CASP6
SCHEMBL17860468 0.94 PAX8 (0.65) PAX8PLCG1PLCB3CASP6
SCHEMBL16984262 0.94 PAX8 (0.65) PAX8PLCG1PLCB3CASP6
SCHEMBL17860402 0.92 PAX8 (0.62) PAX8PLCG1PLCB3CASP6
SCHEMBL17860462 0.91 PAX8 (0.71) PAX8PLCG1PLCB3CASP6MAPK14
SCHEMBL16980396 0.91 PAX8 (0.66) PAX8PLCG1PLCB3CASP6
SCHEMBL17860297 0.90 PAX8 (0.72) PAX8PLCG1PLCB3CASP6MAPK14
SCHEMBL17860449 0.90 PAX8 (0.84) PAX8PLCG1PLCB3CASP6
SCHEMBL17860300 0.90 PAX8 (0.60) PAX8PLCG1PLCB3CASP6
SCHEMBL17860372 0.89 PAX8 (0.69) PAX8PLCG1PLCB3CASP6MAPK14

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
WO-2016100711-A1 MODULATORS OF HEPATIC LIPOPROTEIN METABOLISM THE BROAD INSTITUTE, INC. (US) 2016-06-23 WO disclosed