SCHEMBL3825501

SCHEMBL3825501

C[C@H]1O[C@@H](n2cc(Br)c(N)nc2=O)C(O)C1O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADK P55263 13/20 0.57
ADORA3 P0DMS8 1/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
PMP22 Q01453 1/20 0.44
HBB P68871 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3821458 1.00 ADK (0.57) ADKADORA3LMNATSHRMAPT
SCHEMBL23098378 0.85 ADK (0.56) ADKADORA3LMNATSHRMAPT
SCHEMBL10013535 0.84 LMNA (0.56) ADKADORA3LMNATSHRMAPT
SCHEMBL3827614 0.84 ADK (0.57) ADKADORA3LMNATSHRMAPT
SCHEMBL12029778 0.84 LMNA (0.56) ADKADORA3LMNATSHRMAPT
SCHEMBL19657131 0.84 LMNA (0.56) ADKADORA3LMNATSHRMAPT
SCHEMBL15119375 0.84 LMNA (0.56) ADKADORA3LMNATSHRMAPT
SCHEMBL2467656 0.84 LMNA (0.56) ADKADORA3LMNATSHRMAPT
SCHEMBL331945 0.84 LMNA (0.56) ADKADORA3LMNATSHRMAPT
SCHEMBL13621266 0.84 LMNA (0.56) ADKADORA3LMNATSHRMAPT

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 6 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 claimed
EP-0882734-A2 5'-Deoxy-cytidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-12-09 EP claimed
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
US-6114520-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed
EP-0882734-A2 5'-Deoxy-cytidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-12-09 EP disclosed