SCHEMBL5079082

SCHEMBL5079082

Cc1ccc(CN(C)C(=O)/C=C/c2cnc(N)c(CN3CCOCC3)c2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39

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
Hydrochloric Acid SCHEMBL1254002 0.99 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMAPTMAPK1HTT
Hydrochloric Acid SCHEMBL1253998 0.99 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMAPTMAPK1HTT
SCHEMBL5076267 0.91 KIT (0.41)
Hydrochloric Acid SCHEMBL1251761 0.90 KIT (0.40)
Hydrochloric Acid SCHEMBL1251765 0.90 KIT (0.40)
SCHEMBL1253967 0.86 LMNA (0.44) SMN1; SMN2MAPTHTT
SCHEMBL1253958 0.86 LMNA (0.44) SMN1; SMN2MAPTHTT
SCHEMBL5079762 0.84 KDM4E (0.38) SMN1; SMN2KDM4EMAPTMAPK1HTT
SCHEMBL5079756 0.84 KDM4E (0.38) SMN1; SMN2KDM4EMAPTMAPK1HTT
Hydrochloric Acid SCHEMBL1253910 0.83 KDM4E (0.39) SMN1; SMN2KDM4EMAPTMAPK1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 EP claimed