SCHEMBL9779447

SCHEMBL9779447

CCOC(=O)c1c(-c2cccc(C#N)c2)cc(C(=O)OC)nc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 3/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
SETD7 Q8WTS6 1/20 0.43
CNR2 P34972 1/20 0.43
ADORA3 P0DMS8 3/20 0.42
F11 P03951 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL9779236 0.90 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL9779277 0.80 SCN9A (0.48) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL6137231 0.77 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
Fumaric Acid SCHEMBL9779268 0.76 SCN9A (0.45) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
Fumaric Acid SCHEMBL9779264 0.76 SCN9A (0.45) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL9779393 0.76 ADORA3 (0.51) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL9779485 0.76 ADORA3 (0.51) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL10377682 0.75 KDM4E (0.58) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
Fumaric Acid SCHEMBL10430887 0.75 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1TLR8TLR7
SCHEMBL9779333 0.74 MAPT (0.61) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA

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-5037824-A Cardiotonic, antiischemic agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-08-06 US disclosed
EP-0387070-A2 N-Containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-12 EP disclosed