SCHEMBL17860464

SCHEMBL17860464

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

nearest known ligand 0.69

Predicted protein targets (top 13)

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
CCR2 P41597 1/20 0.39
CNR1 P21554 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK14 Q16539 1/20 0.37
NAMPT P43490 1/20 0.37
ACKR3 P25106 2/20 0.36
ROCK2 O75116 2/20 0.36
MALT1 Q9UDY8 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL17860368 0.93 PAX8 (0.64) PAX8PLCG1PLCB3CASP6MAPK14
SCHEMBL17860297 0.90 PAX8 (0.72) PAX8PLCG1PLCB3CASP6L3MBTL1
SCHEMBL17860372 0.90 PAX8 (0.69) PAX8PLCG1PLCB3CASP6MAPK14
SCHEMBL17860462 0.90 PAX8 (0.71) PAX8PLCG1PLCB3CASP6MAPK14
SCHEMBL17860449 0.90 PAX8 (0.84) PAX8PLCG1PLCB3CASP6CCR2
SCHEMBL17860362 0.88 PAX8 (0.69) PAX8PLCG1PLCB3CASP6MAPK14
SCHEMBL17860454 0.88 PAX8 (0.61) PAX8PLCG1PLCB3CASP6
SCHEMBL17860363 0.88 PAX8 (0.68) PAX8PLCG1PLCB3CASP6L3MBTL1
SCHEMBL17860453 0.87 PAX8 (0.73) PAX8PLCG1PLCB3CASP6ACKR3
SCHEMBL17860371 0.87 PAX8 (0.67) 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