SCHEMBL5079756

SCHEMBL5079756

Cc1c(CN(C)C(=O)/C=C/c2cnc(N)c(CN3CCOCC3)c2)sc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5079762 1.00 KDM4E (0.38) KDM4EMAPTMAPK1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL1253912 0.99 KDM4E (0.39) KDM4EMAPTMAPK1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL1253910 0.99 KDM4E (0.39) KDM4EMAPTMAPK1HTTSMN1; SMN2
SCHEMBL5078231 0.91
SCHEMBL5078230 0.91
Hydrochloric Acid SCHEMBL1251715 0.91
Hydrochloric Acid SCHEMBL1251719 0.91
SCHEMBL5079082 0.84 SMN1; SMN2 (0.39) KDM4EMAPTMAPK1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL1254002 0.83 SMN1; SMN2 (0.41) KDM4EMAPTMAPK1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL1253998 0.83 SMN1; SMN2 (0.41) KDM4EMAPTMAPK1HTTSMN1; SMN2

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