SCHEMBL3825844

SCHEMBL3825844

C#Cc1c[nH]c(=O)nc1NC(=O)OCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ALDH1A1 P00352 3/20 0.41
CSNK2A2 P19784 2/20 0.39
CSNK2A1 P68400 2/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
MCL1 Q07820 1/20 0.38
XDH P47989 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.37
NAAA Q02083 2/20 0.37
CYP1A2 P05177 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL7204740 0.89 TSHR (0.38) LMNAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7205105 0.86 RECQL (0.37) LMNAALDH1A1KDM4EMAPT
SCHEMBL7207482 0.85 LMNA (0.35) LMNAALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL2440388 0.84 LMNA (0.52) LMNAALDH1A1CSNK2A2CSNK2A1RAB9A
SCHEMBL7206799 0.84 LMNA (0.33) LMNAALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL7063863 0.83 LMNA (0.51) LMNAALDH1A1CSNK2A2CSNK2A1XDH
SCHEMBL7063685 0.83 LMNA (0.51) LMNAALDH1A1CSNK2A2CSNK2A1XDH
SCHEMBL7064550 0.80 LMNA (0.47) LMNAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7212657 0.80 NAAA (0.43) LMNARAB9ANPC1SMN1; SMN2NAAA
SCHEMBL7205833 0.78 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2HPGDKDM4E

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-0882734-B1 5'-Deoxy-cytidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-26 EP disclosed
US-6211166-B1 COADMINISTERED WITH A 5-FLUOROURACIL DERIVATIVE; ANTICARCINOGENIC AGENTS HOFFMAN-LA ROCHE INC. 2001-04-03 US disclosed
EP-0882734-A2 5'-Deoxy-cytidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-12-09 EP disclosed