SCHEMBL10488606

SCHEMBL10488606

CCOC(=O)c1c(NC(C)(C)CC(C)(C)C)n[nH]c1C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.53
MAPT P10636 5/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 1/20 0.47
AURKA O14965 3/20 0.46
GAA P10253 2/20 0.44
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.37
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
MAPK10 P53779 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL10488639 0.86 PDE4D (0.61) PDE4DSMN1; SMN2MAPTKDM4EPOLB
SCHEMBL10488611 0.83 SMN1; SMN2 (0.36) PDE4DSMN1; SMN2MAPTKDM4EPOLB
SCHEMBL10489006 0.78 PDE4D (0.67) PDE4DSMN1; SMN2MAPTKDM4EPOLB
SCHEMBL10488962 0.77 SMN1; SMN2 (0.68) PDE4DSMN1; SMN2MAPTKDM4EPOLB
SCHEMBL10488557 0.74 PDE4D (0.61) PDE4DSMN1; SMN2MAPTKDM4EPOLB
SCHEMBL21172021 0.74 PDE4D (0.61) PDE4DSMN1; SMN2MAPTKDM4EPOLB
SCHEMBL10488604 0.74 SMN1; SMN2 (0.65) PDE4DSMN1; SMN2MAPTKDM4EPOLB
SCHEMBL353564 0.72 PDE4D (1.00) PDE4DSMN1; SMN2MAPTKDM4EPOLB
SCHEMBL10488619 0.72 PDE4D (0.58) PDE4DSMN1; SMN2MAPTKDM4EPOLB
SCHEMBL10488635 0.72 PDE4D (0.58) PDE4DSMN1; SMN2MAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315433-A2 3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants, muscle relaxants and anxiolytics A.H. ROBINS COMPANY, INCORPORATED (US) 1989-05-10 EP claimed
US-4826866-A 3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants, muscle relaxants and anxiolytics A. H. ROBINS COMPANY, INCORPORATED (US) 1989-05-02 US claimed
EP-0315433-A2 3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants, muscle relaxants and anxiolytics A.H. ROBINS COMPANY, INCORPORATED (US) 1989-05-10 EP disclosed