SCHEMBL7207507

SCHEMBL7207507

C#Cc1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c(=O)nc1NC(=O)OCCCSC

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
ADK P55263 8/20 0.41
DOT1L Q8TEK3 1/20 0.33
NAAA Q02083 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
PMP22 Q01453 1/20 0.31
HBB P68871 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
P2RY6 Q15077 1/20 0.30
MARS1 P56192 1/20 0.30

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
SCHEMBL7209579 0.95 LMNA (0.58) LMNAADKTSHRMAPTPMP22
SCHEMBL8214201 0.95 LMNA (0.58) LMNAADKTSHRMAPTPMP22
SCHEMBL3821913 0.90 LMNA (0.76) LMNAADK
SCHEMBL7205759 0.89 LMNA (0.62) LMNAADKNAAATSHRMAPT
SCHEMBL3826637 0.89 LMNA (0.75) LMNAADK
SCHEMBL8199285 0.89 LMNA (0.62) LMNAADKNAAATSHRMAPT
SCHEMBL3819223 0.89 LMNA (0.75) LMNAADK
SCHEMBL3818845 0.89 LMNA (0.75) LMNAADK
SCHEMBL3824216 0.89 LMNA (0.75) LMNAADK
SCHEMBL3824213 0.89 LMNA (0.75) LMNAADK

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-1060183-B1 5'-DEOXYCYTIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed