SCHEMBL9779236

SCHEMBL9779236

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
F11 P03951 1/20 0.47
ADORA3 P0DMS8 4/20 0.46
PIN1 Q13526 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL9779447 0.90 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2KDM4ERAB9ALMNA
SCHEMBL9779315 0.80 MAPT (0.59) ALDH1A1SMN1; SMN2KDM4ERAB9ALMNA
SCHEMBL9779393 0.79 ADORA3 (0.51) ALDH1A1SMN1; SMN2KDM4ERAB9ALMNA
SCHEMBL9779485 0.79 ADORA3 (0.51) ALDH1A1SMN1; SMN2KDM4ERAB9ALMNA
SCHEMBL9779277 0.79 SCN9A (0.48) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL10377682 0.78 KDM4E (0.58) ALDH1A1SMN1; SMN2KDM4ERAB9ALMNA
SCHEMBL6137231 0.78 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4ERAB9ALMNA
Fumaric Acid SCHEMBL10430887 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1TLR8TLR7
Fumaric Acid SCHEMBL9779268 0.77 SCN9A (0.45) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
Fumaric Acid SCHEMBL9779264 0.77 SCN9A (0.45) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT

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