SCHEMBL21964293

SCHEMBL21964293

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1C#N

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ LMNA P02545 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ NPC1 O15118 1/20 0.58
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ USP30 Q70CQ3 2/20 0.50
▸ UCHL1 P09936 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TSHR P16473 3/20 0.47
▸ JAK2 O60674 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL13492830 0.85 KMT2A (0.70) KMT2AMEN1LMNANPSR1NPC1
SCHEMBL11987662 0.84 NPSR1 (0.76) KMT2AMEN1LMNANPSR1NPC1
SCHEMBL2198809 0.84 KMT2A (0.68) KMT2AMEN1LMNANPSR1NPC1
SCHEMBL12649100 0.84 KMT2A (0.68) KMT2AMEN1LMNANPSR1NPC1
SCHEMBL11987493 0.84 KMT2A (0.68) KMT2AMEN1LMNANPSR1NPC1
SCHEMBL8871429 0.84 KMT2A (0.68) KMT2AMEN1LMNANPSR1NPC1
SCHEMBL12105308 0.82 KMT2A (0.66) KMT2AMEN1LMNANPSR1NPC1
SCHEMBL8251291 0.82 MEN1 (0.66) KMT2AMEN1LMNANPSR1NPC1
SCHEMBL15457836 0.82 KMT2A (0.66) KMT2AMEN1LMNANPSR1NPC1
SCHEMBL11987478 0.82 KMT2A (0.66) KMT2AMEN1LMNANPSR1NPC1

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
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 — — EP disclosed
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