SCHEMBL17860368

SCHEMBL17860368

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

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 5/20 0.64
▸ PLCG1 P19174 4/20 0.61
▸ PLCB3 Q01970 4/20 0.61
▸ CASP6 P55212 1/20 0.55
▸ ROCK2 O75116 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MCHR1 Q99705 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ MALT1 Q9UDY8 1/20 0.36
▸ MAPK14 Q16539 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
SCHEMBL17860464 0.93 PAX8 (0.69) PAX8PLCG1PLCB3CASP6ROCK2
SCHEMBL17860363 0.92 PAX8 (0.68) PAX8PLCG1PLCB3CASP6MAPT
SCHEMBL17860371 0.91 PAX8 (0.67) PAX8PLCG1PLCB3CASP6ROCK2
SCHEMBL17860453 0.91 PAX8 (0.73) PAX8PLCG1PLCB3CASP6NPC1
SCHEMBL16980367 0.90 PAX8 (0.65) PAX8PLCG1PLCB3CASP6MAPT
SCHEMBL16984262 0.90 PAX8 (0.65) PAX8PLCG1PLCB3CASP6MAPT
SCHEMBL17860468 0.90 PAX8 (0.65) PAX8PLCG1PLCB3CASP6MAPT
SCHEMBL17860394 0.90 PAX8 (0.65) PAX8PLCG1PLCB3CASP6ROCK2
SCHEMBL16980396 0.89 PAX8 (0.66) PAX8PLCG1PLCB3CASP6MEN1
SCHEMBL17860454 0.89 PAX8 (0.61) PAX8PLCG1PLCB3CASP6MAPT

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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