SCHEMBL20095970

SCHEMBL20095970

CC(C)CC(=O)N1CC(N(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ATM Q13315 1/20 0.36
PTPN1 P18031 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MDM2 Q00987 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
SCHEMBL12414833 0.86 JAK2 (0.50) SMN1; SMN2POLBL3MBTL1NPSR1JAK2
SCHEMBL12304216 0.86 JAK2 (0.50) SMN1; SMN2POLBL3MBTL1NPSR1JAK2
SCHEMBL12414834 0.86 JAK2 (0.50) SMN1; SMN2POLBL3MBTL1NPSR1JAK2
SCHEMBL20063333 0.85 SMN1; SMN2 (0.46) SMN1; SMN2POLBL3MBTL1NPSR1JAK2
SCHEMBL12764370 0.81 MEN1 (0.49) SMN1; SMN2POLBL3MBTL1NPSR1JAK2
SCHEMBL20095899 0.80 SMN1; SMN2 (0.41) SMN1; SMN2POLBL3MBTL1NPSR1JAK2
SCHEMBL24974012 0.78 SMN1; SMN2 (0.59) SMN1; SMN2POLBL3MBTL1NPSR1KMT2A
SCHEMBL19104799 0.78 SMN1; SMN2 (0.53) SMN1; SMN2POLBL3MBTL1NPSR1HDAC1
SCHEMBL17190676 0.78 SMN1; SMN2 (0.53) SMN1; SMN2POLBL3MBTL1NPSR1KMT2A
SCHEMBL15490020 0.78 SMN1; SMN2 (0.53) SMN1; SMN2POLBL3MBTL1NPSR1KMT2A

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-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed