SCHEMBL6886933

SCHEMBL6886933

NC1=NC(Cl)([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)N=C2N=CN=C12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.33
LMNA P02545 3/20 0.30
MTOR P42345 2/20 0.30
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA4 P22748 2/20 0.30
CA5A P35218 2/20 0.30
CA7 P43166 2/20 0.30
CA5B Q9Y2D0 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
ALDH1A1 P00352 2/20 0.30
TP53 P04637 2/20 0.30
THRB P10828 1/20 0.30
MDM2 Q00987 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
POLB P06746 1/20 0.30
GMNN O75496 1/20 0.30
NFKB1 P19838 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
SCHEMBL3877443 0.84 PNP (0.33) PNPLMNAMTORSMN1; SMN2ALDH1A1
Phosphoric Acid SCHEMBL3691841 0.79 PNP (0.32) PNPLMNAMTORSMN1; SMN2ALDH1A1
SCHEMBL6048228 0.77 PNP (0.33) PNP
SCHEMBL11134890 0.74 PNP (0.38) PNPLMNAMTORSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7665376 0.67
SCHEMBL9419610 0.65 KDM4E (0.34) LMNASMN1; SMN2GMNNNFKB1BLM
SCHEMBL2634659 0.59
SCHEMBL23705204 0.58 LGALS1 (0.41) LMNACA12CA1CA2ALDH1A1
SCHEMBL26893427 0.58 LGALS1 (0.41) LMNACA12CA1CA2ALDH1A1
SCHEMBL26698792 0.58 LGALS1 (0.41) LMNACA12CA1CA2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 EP disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 WO disclosed