SCHEMBL8779212

SCHEMBL8779212

CCOc1ccnc(OC(=O)NC(=O)[C@H](C)N)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.37
CARM1 Q86X55 2/20 0.35
PRMT6 Q96LA8 2/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2C Q14957 1/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IKBKB O14920 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
GRM5 P41594 1/20 0.33
LMNA P02545 1/20 0.33
AAK1 Q2M2I8 2/20 0.32

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
SCHEMBL8779176 1.00 HPGD (0.38) HPGDSMN1; SMN2GAACARM1PRMT6
SCHEMBL8779325 0.91 IKBKB (0.37) HPGDSMN1; SMN2GAACARM1PRMT6
SCHEMBL8779136 0.91 IKBKB (0.37) HPGDSMN1; SMN2GAACARM1PRMT6
SCHEMBL8779135 0.90 XIAP (0.40) SMN1; SMN2CARM1PRMT6LMNA
SCHEMBL8779157 0.90 XIAP (0.40) SMN1; SMN2CARM1PRMT6LMNA
SCHEMBL8779292 0.89 CARM1 (0.35) SMN1; SMN2CARM1PRMT6AAK1
SCHEMBL8779231 0.89 CARM1 (0.33) GAACARM1PRMT6AAK1
SCHEMBL8779165 0.89 XIAP (0.38) SMN1; SMN2CARM1PRMT6KMT2ALMNA
SCHEMBL8779264 0.88 AAK1 (0.35) CARM1PRMT6GRIN3BGRIN1GRIN2C
SCHEMBL8779278 0.87 HTT (0.39) CARM1PRMT6KDM4E

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
EP-0661269-B1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AG (DE) 1997-03-26 EP disclosed
EP-0661269-A1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed