SCHEMBL17860468

SCHEMBL17860468

CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3Cc4ccccc4C3)CC[C@H]21

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 4/20 0.65
PLCG1 P19174 4/20 0.62
PLCB3 Q01970 4/20 0.62
CASP6 P55212 1/20 0.56
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
APOB P04114 9/20 0.40
MTTP P55157 8/20 0.40
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL16984262 1.00 PAX8 (0.65) PAX8PLCG1PLCB3CASP6MEN1
SCHEMBL16980367 1.00 PAX8 (0.65) PAX8PLCG1PLCB3CASP6MEN1
SCHEMBL17860402 0.97 PAX8 (0.62) PAX8PLCG1PLCB3CASP6MEN1
SCHEMBL16980396 0.95 PAX8 (0.66) PAX8PLCG1PLCB3CASP6MEN1
SCHEMBL17860300 0.94 PAX8 (0.60) PAX8PLCG1PLCB3CASP6APOB
SCHEMBL17860362 0.94 PAX8 (0.69) PAX8PLCG1PLCB3CASP6
SCHEMBL17860371 0.93 PAX8 (0.67) PAX8PLCG1PLCB3CASP6
SCHEMBL17860363 0.92 PAX8 (0.68) PAX8PLCG1PLCB3CASP6MAPT
SCHEMBL17860303 0.92 PAX8 (0.55) PAX8PLCG1PLCB3CASP6MEN1
SCHEMBL17860453 0.92 PAX8 (0.73) PAX8PLCG1PLCB3CASP6APOB

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