SCHEMBL19357366

SCHEMBL19357366

CCOC(=O)C(C#N)C1(c2cccc(CC)c2)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
POLB P06746 1/20 0.36
BACE1 P56817 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL19031287 0.88 HDAC4 (0.43) SMN1; SMN2MEN1KMT2AGAAPOLB
SCHEMBL19357459 0.85 SMN1; SMN2 (0.45) L3MBTL1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL625932 0.84 LMNA (0.42) TSHRTDP1SMN1; SMN2MEN1KMT2A
SCHEMBL15010843 0.84 MAPT (0.39) L3MBTL1MAPK1TDP1SMN1; SMN2MEN1
SCHEMBL625405 0.83 SMN1; SMN2 (0.45) L3MBTL1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL626372 0.81 HDAC3 (0.40) ALDH1A1
SCHEMBL625629 0.81 CCR2 (0.41) SMN1; SMN2MEN1KMT2AGAAHTT
SCHEMBL624927 0.78 SLC6A4 (0.53)
SCHEMBL19382883 0.77 BACE1 (0.34) SMN1; SMN2HCAR3HCAR2BACE1
SCHEMBL364956 0.76 SLC6A4 (0.49) TDP1SMN1; SMN2GAAPOLBNPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017158151-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2017-09-21 WO disclosed
WO-2017158147-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2017-09-21 WO disclosed
WO-2017158147-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2017-09-21 WO disclosed
WO-2017158151-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2017-09-21 WO disclosed