SCHEMBL17860356

SCHEMBL17860356

CN1C(=O)c2ccc(NCc3ccccc3)nc2OC[C@@H]2O[C@H](CC(=O)NC3Cc4ccccc4C3)CC[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 4/20 0.44
PLCG1 P19174 4/20 0.42
PLCB3 Q01970 4/20 0.42
CASP6 P55212 1/20 0.41
GRM7 Q14831 1/20 0.34
CHRNA7 P36544 1/20 0.32
ACHE P22303 3/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
ADRA1B P35368 1/20 0.31
KCNH2 Q12809 1/20 0.31
MCHR1 Q99705 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL17860352 0.85 PAX8 (0.46) PAX8PLCG1PLCB3CASP6GRM7
SCHEMBL17860344 0.84 KDM4E (0.33) GRM7ACHEKDM4ERECQLCAPN1
SCHEMBL17860355 0.83 PAX8 (0.52) PAX8PLCG1PLCB3CASP6
SCHEMBL17860400 0.81 PAX8 (0.56) PAX8PLCG1PLCB3CASP6GRM7
SCHEMBL17860385 0.79 PAX8 (0.57) PAX8PLCG1PLCB3CASP6GRM7
SCHEMBL17860302 0.78 PAX8 (0.55) PAX8PLCG1PLCB3CASP6
SCHEMBL17860392 0.77 PAX8 (0.58) PAX8PLCG1PLCB3CASP6GRM7
SCHEMBL17860390 0.77 PAX8 (0.58) PAX8PLCG1PLCB3CASP6GRM7
SCHEMBL17860357 0.75 PAX8 (0.56) PAX8PLCG1PLCB3CASP6GRM7
SCHEMBL17860358 0.75 PAX8 (0.65) PAX8PLCG1PLCB3CASP6

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