SCHEMBL5705312

SCHEMBL5705312

NC1C=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ADRB1 P08588 1/20 0.44
▸ DNMT1 P26358 1/20 0.44
▸ ALOX12 P18054 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ TK1 P04183 3/20 0.41
▸ TK2 O00142 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PIM1 P11309 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ CSNK2A3 Q8NEV1 1/20 0.36

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
SCHEMBL6910650 0.85 LMNA (0.44) LMNASMN1; SMN2ADRB1DNMT1ALOX12
SCHEMBL8740385 0.78 LMNA (0.45) LMNASMN1; SMN2ADRB1DNMT1ALOX12
SCHEMBL16378861 0.78 LMNA (0.49) LMNASMN1; SMN2ADRB1DNMT1ALOX12
SCHEMBL29388908 0.78 LMNA (0.49) LMNASMN1; SMN2ADRB1DNMT1ALOX12
SCHEMBL23892752 0.77 LMNA (0.45) LMNASMN1; SMN2ADRB1DNMT1ALOX12
SCHEMBL6364684 0.76 LMNA (0.44) LMNASMN1; SMN2ADRB1DNMT1ALOX12
SCHEMBL8390462 0.72 DNMT1 (0.39) LMNASMN1; SMN2ADRB1DNMT1ALOX12
SCHEMBL4214655 0.70 LMNA (0.49) LMNASMN1; SMN2ADRB1DNMT1ALOX12
SCHEMBL4214653 0.70 LMNA (0.49) LMNASMN1; SMN2ADRB1DNMT1ALOX12
SCHEMBL9702896 0.70 LMNA (0.49) LMNASMN1; SMN2ADRB1DNMT1ALOX12

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-1156827-B1 USE OF COMPOSITIONS COMPRISING CldC AS RADIOSENSITIZERS IN THE TREATMENT OF NEOPLASTIC DISEASES HALOGENETICS INC (US) 2006-09-20 — — EP disclosed
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