SCHEMBL17860352

SCHEMBL17860352

CN(C)c1ccc2c(n1)OC[C@@H]1O[C@H](CC(=O)NC3Cc4ccccc4C3)CC[C@@H]1N(C)C2=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 3/20 0.46
PLCG1 P19174 4/20 0.41
PLCB3 Q01970 4/20 0.41
CASP6 P55212 1/20 0.41
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
CHRNA7 P36544 4/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
GRM7 Q14831 1/20 0.32
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL17860356 0.85 PAX8 (0.44) PAX8PLCG1PLCB3CASP6KDM4E
SCHEMBL17860400 0.83 PAX8 (0.56) PAX8PLCG1PLCB3CASP6KDM4E
SCHEMBL17860355 0.82 PAX8 (0.52) PAX8PLCG1PLCB3CASP6
SCHEMBL17860357 0.82 PAX8 (0.56) PAX8PLCG1PLCB3CASP6KDM4E
SCHEMBL17860392 0.79 PAX8 (0.58) PAX8PLCG1PLCB3CASP6KDM4E
SCHEMBL17860390 0.78 PAX8 (0.58) PAX8PLCG1PLCB3CASP6KDM4E
SCHEMBL17860358 0.77 PAX8 (0.65) PAX8PLCG1PLCB3CASP6TSHR
SCHEMBL17860426 0.76 PAX8 (0.52) PAX8PLCG1PLCB3CASP6KDM4E
SCHEMBL17860423 0.76 PAX8 (0.51) PAX8PLCG1PLCB3CASP6KDM4E
SCHEMBL17860413 0.76 PAX8 (0.57) PAX8PLCG1PLCB3CASP6CHRNA7

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