SCHEMBL17860462

SCHEMBL17860462

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 4/20 0.71
▸ PLCG1 P19174 4/20 0.62
▸ PLCB3 Q01970 4/20 0.62
▸ CASP6 P55212 1/20 0.56
▸ MAPK14 Q16539 2/20 0.41
▸ TP53 P04637 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPC1 O15118 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL17860371 0.93 PAX8 (0.67) PAX8PLCG1PLCB3CASP6MAPK14
SCHEMBL17860297 0.92 PAX8 (0.72) PAX8PLCG1PLCB3CASP6MAPK14
SCHEMBL17860449 0.92 PAX8 (0.84) PAX8PLCG1PLCB3CASP6TP53
SCHEMBL17860362 0.91 PAX8 (0.69) PAX8PLCG1PLCB3CASP6MAPK14
SCHEMBL17860372 0.90 PAX8 (0.69) PAX8PLCG1PLCB3CASP6MAPK14
SCHEMBL17860464 0.90 PAX8 (0.69) PAX8PLCG1PLCB3CASP6MAPK14
SCHEMBL17860363 0.89 PAX8 (0.68) PAX8PLCG1PLCB3CASP6MAPK14
SCHEMBL16980367 0.89 PAX8 (0.65) PAX8PLCG1PLCB3CASP6TP53
SCHEMBL16984262 0.89 PAX8 (0.65) PAX8PLCG1PLCB3CASP6TP53
SCHEMBL17860468 0.89 PAX8 (0.65) PAX8PLCG1PLCB3CASP6TP53

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
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