SCHEMBL10488441

SCHEMBL10488441

Cc1[nH]nc(NCCN2CCOCC2)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
POLB P06746 3/20 0.45
MAPK1 P28482 2/20 0.45
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
CNR1 P21554 1/20 0.44
ACHE P22303 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM5B Q9UGL1 1/20 0.42
CSNK2A1 P68400 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL10518348 0.93 KDM4E (0.46) LMNASMN1; SMN2KDM4EPOLBMAPK1
SCHEMBL10515892 0.86 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EPOLBMAPK1CYP3A4
SCHEMBL10488969 0.79 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EPOLBMAPK1GAA
SCHEMBL10488470 0.75 SMN1; SMN2 (0.48) LMNASMN1; SMN2KDM4ECSNK2A1GAA
SCHEMBL3449342 0.74 LMNA (0.51) LMNASMN1; SMN2KDM4EHTTMAPK1
SCHEMBL10488636 0.73 SMN1; SMN2 (0.54) LMNASMN1; SMN2KDM4EPOLBKCNH2
SCHEMBL10488646 0.73 SMN1; SMN2 (0.46) LMNASMN1; SMN2POLBCSNK2A1GAA
SCHEMBL10488490 0.72 SMN1; SMN2 (0.45) LMNASMN1; SMN2POLBCSNK2A1GAA
SCHEMBL10488586 0.70 LRRK2 (0.47) LMNAKDM4EHTTPOLBMAPK1
SCHEMBL166433 0.70 TDP1 (0.58) LMNASMN1; SMN2POLBKCNH2TDP1

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 2 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
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