SCHEMBL5076264

SCHEMBL5076264

CCOc1c(CN(C)C(=O)C=Cc2cnc(N)c(CN3CCOCC3)c2)cccc1OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 5/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.42
RECQL P46063 1/20 0.42
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 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
SCHEMBL5076255 1.00 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EMAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL1252189 0.99 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EMAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL1252192 0.99 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EMAPTALDH1A1KMT2A
SCHEMBL5082669 0.92 ALDH1A1 (0.38) SMN1; SMN2KDM4EALDH1A1KMT2AMEN1
SCHEMBL5082666 0.92 ALDH1A1 (0.38) SMN1; SMN2KDM4EALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL1251911 0.91 ALDH1A1 (0.38) SMN1; SMN2KDM4EALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL1251907 0.91 ALDH1A1 (0.38) SMN1; SMN2KDM4EALDH1A1KMT2AMEN1
SCHEMBL5079087 0.85 HDAC3 (0.36) SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL5079091 0.85 HDAC3 (0.36) SMN1; SMN2ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL1253084 0.85 HDAC3 (0.35) SMN1; SMN2ALDH1A1KMT2AMEN1

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