SCHEMBL10921995

SCHEMBL10921995

Cc1nc(C)c(OC(=O)OC(C)C)c(-c2ccccc2)c1OC(=O)OCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
TARBP2 Q15633 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX5 P09917 2/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
TP53 P04637 1/20 0.35
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 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
SCHEMBL10914513 0.91 DPP4 (0.34) SMN1; SMN2MAPTLMNAALDH1A1NPSR1
SCHEMBL10921719 0.89 SMN1; SMN2 (0.46) SMN1; SMN2MAPTLMNAALDH1A1NPSR1
SCHEMBL10910998 0.88 LMNA (0.37) SMN1; SMN2MAPTLMNAALDH1A1KDM4E
SCHEMBL10914187 0.88 HPGD (0.41) SMN1; SMN2MAPTLMNAALDH1A1KDM4E
SCHEMBL10915172 0.86 L3MBTL1 (0.38) SMN1; SMN2LMNAALDH1A1KDM4ENPC1
SCHEMBL10913013 0.85 SMN1; SMN2 (0.34) SMN1; SMN2MAPTLMNAGAATSHR
SCHEMBL10923799 0.85 SMN1; SMN2 (0.43) SMN1; SMN2MAPTLMNAALDH1A1NPSR1
SCHEMBL10914228 0.85 TDP1 (0.41) SMN1; SMN2MAPTGAARAB9AMEN1
SCHEMBL10914725 0.85 CPB1 (0.36) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD
SCHEMBL10913637 0.84 PTPN11 (0.39)

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-0088938-B1 USE OF PYRIDINE COMPOUNDS FOR THE MANUFACTURE OF MEDICAMENTS WITH AN ANTIHYPOXEMIA AND ISCHEMIA-PROTECTIVE ACTIVITY BAYER AG (DE) 1986-04-30 EP disclosed
EP-0088940-A1 Pyridine-carboxylic-acid esters, process for their preparation and their use as pharmaceutical compositions BAYER AG (DE) 1983-09-21 EP disclosed
EP-0088938-A1 Use of pyridine compounds for the manufacture of medicaments with an antihypoxemia and ischemia-protective activity BAYER AG (DE) 1983-09-21 EP disclosed