SCHEMBL13340646

SCHEMBL13340646

CCCCCOC(=O)Nc1nc(=O)n([C@@H]2OC(C)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1F

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.75
ADK P55263 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
NAAA Q02083 2/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 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
SCHEMBL12302023 1.00 LMNA (0.75) LMNAADKTDP1THRBSMN1; SMN2
SCHEMBL285059 1.00 LMNA (0.75) LMNAADKTDP1THRBSMN1; SMN2
SCHEMBL12302015 1.00 LMNA (0.75) LMNAADKTDP1THRBSMN1; SMN2
SCHEMBL12945763 1.00 LMNA (0.75) LMNAADKTDP1THRBSMN1; SMN2
SCHEMBL12029798 1.00 LMNA (0.75) LMNAADKTDP1THRBSMN1; SMN2
SCHEMBL8196421 1.00 LMNA (0.75) LMNAADKTDP1THRBSMN1; SMN2
SCHEMBL285464 0.99 LMNA (0.73) LMNAADKTDP1THRBSMN1; SMN2
SCHEMBL8992747 0.99 LMNA (0.73) LMNAADKTDP1THRBSMN1; SMN2
SCHEMBL16508681 0.99 LMNA (0.73) LMNAADKTDP1THRBSMN1; SMN2
SCHEMBL16508671 0.99 LMNA (0.73) LMNAADKTDP1THRBSMN1; SMN2

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
WO-2010065586-A2 PREPARATION OF CAPECITABINE DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 WO disclosed