SCHEMBL10488646

SCHEMBL10488646

CCCCNc1n[nH]c(C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
CSNK2A2 P19784 1/20 0.42
KDR P35968 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
GAA P10253 1/20 0.40
TLR8 Q9NR97 8/20 0.40
TLR7 Q9NYK1 4/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
HCAR3 P49019 1/20 0.39
PDE4D Q08499 1/20 0.39
PPARG P37231 1/20 0.39
KDM6B O15054 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
HCAR2 Q8TDS4 2/20 0.38

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
SCHEMBL10488490 0.95 SMN1; SMN2 (0.45) SMN1; SMN2CSNK2A2KDRCSNK2BCSNK2A1
SCHEMBL10488695 0.94 SMN1; SMN2 (0.44) SMN1; SMN2CSNK2A2KDRCSNK2BCSNK2A1
SCHEMBL10488600 0.94 SMN1; SMN2 (0.44) SMN1; SMN2CSNK2A2KDRCSNK2BCSNK2A1
SCHEMBL10488470 0.90 SMN1; SMN2 (0.48) SMN1; SMN2CSNK2A2KDRCSNK2BCSNK2A1
SCHEMBL10978593 0.85 SMN1; SMN2 (0.50) SMN1; SMN2CSNK2A2KDRCSNK2BCSNK2A1
SCHEMBL10488534 0.84 SMN1; SMN2 (0.62) SMN1; SMN2GAAPOLBLMNAPDE4D
SCHEMBL10488456 0.83 SMN1; SMN2 (0.50) SMN1; SMN2GAAPOLBLMNAPDE4D
SCHEMBL10488465 0.80 SMN1; SMN2 (0.61) SMN1; SMN2GAAPOLBLMNAPDE4D
SCHEMBL10488562 0.79 SMN1; SMN2 (0.60) SMN1; SMN2GAAPOLBLMNAPDE4D
SCHEMBL10488587 0.79 SMN1; SMN2 (0.60) SMN1; SMN2GAAPOLBLMNAPDE4D

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
US-4871737-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) 1989-10-03 US disclosed
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
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 disclosed