SCHEMBL22801419

SCHEMBL22801419

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MDM2 Q00987 1/20 0.36
PKM P14618 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
SCHEMBL22900030 0.79 ALDH1A1 (0.57) POLBALDH1A1
SCHEMBL15490022 0.77 POLB (0.46) POLBNPSR1L3MBTL1SMN1; SMN2ATM
SCHEMBL25498527 0.75 DPP4 (0.39) ALDH1A1
SCHEMBL12384369 0.75 POLB (0.47) POLBNPSR1L3MBTL1SMN1; SMN2ATM
SCHEMBL674328 0.74
SCHEMBL22434895 0.74 POLB (0.70) POLBNPSR1L3MBTL1SMN1; SMN2ATM
SCHEMBL18199496 0.74 POLB (0.70) POLBNPSR1L3MBTL1SMN1; SMN2ATM
SCHEMBL22900008 0.73 POLB (0.42) POLBNPSR1L3MBTL1SMN1; SMN2ATM
SCHEMBL24597150 0.72 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL21112193 0.72 VNN1 (0.38) SMN1; SMN2

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-2020249792-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 WO disclosed