SCHEMBL7204740

SCHEMBL7204740

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.32
MAPK1 P28482 2/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MCL1 Q07820 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL3825844 0.89 LMNA (0.41) LMNAMAPK1RAB9ASMN1; SMN2NPC1
SCHEMBL7212657 0.84 NAAA (0.43) LMNARAB9ASMN1; SMN2NPC1MEN1
SCHEMBL7205105 0.84 RECQL (0.37) HSD17B10LMNAKDM4EALDH1A1MAPT
SCHEMBL7212661 0.84 CSNK2A2 (0.37) TSHRLMNAMAPK1KDM4EMEN1
SCHEMBL7207482 0.83 LMNA (0.35) HSD17B10LMNARAB9ASMN1; SMN2HPGD
SCHEMBL7211139 0.82 SMN1; SMN2 (0.34) TSHRLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL7206799 0.82 LMNA (0.33) TSHRLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL7204392 0.79 MEN1 (0.31) MEN1KMT2A
SCHEMBL7205752 0.78 BCHE (0.41) TSHRRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7208761 0.76 BCHE (0.39) TSHRRAB9ASMN1; SMN2NPC1ALDH1A1

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-1060183-B1 5'-DEOXYCYTIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
EP-1060183-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-20 EP disclosed
WO-1999040099-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-08-12 WO disclosed