SCHEMBL22562840

SCHEMBL22562840

C[C@H](NCC(=O)OC(C)(C)C)c1nc(CN(C)C)no1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL19502964 0.83 KMT2A (0.46) BMP1L3MBTL1CYP2D6KMT2A
SCHEMBL19502961 0.83 KMT2A (0.46) BMP1L3MBTL1CYP2D6KMT2A
SCHEMBL19502956 0.65 BMP1 (0.40) BMP1
SCHEMBL1508734 0.64 CYP2D6 (0.42) L3MBTL1CYP2D6KMT2A
SCHEMBL235261 0.63 CYP2D6 (0.45) L3MBTL1CYP2D6KMT2A
SCHEMBL19193984 0.63 L3MBTL1 (0.54) L3MBTL1CYP2D6KMT2A
SCHEMBL27570822 0.63 L3MBTL1 (0.54) L3MBTL1CYP2D6KMT2A
SCHEMBL27551142 0.63 L3MBTL1 (0.54) L3MBTL1CYP2D6KMT2A
SCHEMBL8249385 0.62 LMNA (0.50) L3MBTL1CYP2D6KMT2A
SCHEMBL24269352 0.62 CYP2D6 (0.44) L3MBTL1CYP2D6

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-3464273-B9 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARM SPA (IT) 2020-10-21 EP disclosed