SCHEMBL14036675

SCHEMBL14036675

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C)O[C@H]1n1cnc(C#N)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PNP P00491 1/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CA9 Q16790 8/20 0.33
▸ CA1 P00915 7/20 0.33
▸ CA2 P00918 7/20 0.33
▸ CA12 O43570 5/20 0.33
▸ CD69 Q07108 1/20 0.32
▸ CA14 Q9ULX7 4/20 0.32
▸ ACHE P22303 2/20 0.31

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
SCHEMBL16349578 0.88 OGA (0.36) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL12879162 0.85 LMNA (0.40) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL12154623 0.85 CD69 (0.44) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL12150456 0.85 LMNA (0.40) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL12150506 0.84 KMT2A (0.37) ALDH1A1MAPTCA9CA1CA2
SCHEMBL1377520 0.84 LMNA (0.51) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL15031303 0.84 LMNA (0.51) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL13614200 0.84 LMNA (0.51) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL12892515 0.84 LMNA (0.51) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL12150465 0.71 PTPN1 (0.41) ALDH1A1MAPTCA9CA1CA2

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
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
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