SCHEMBL8740385

SCHEMBL8740385

CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N(F)C1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALOX12 P18054 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ TK1 P04183 3/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ DNMT1 P26358 1/20 0.42
▸ TK2 O00142 1/20 0.42
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PIM1 P11309 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ CSNK2A3 Q8NEV1 1/20 0.37
▸ HIF1A Q16665 1/20 0.37

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
SCHEMBL8663347 0.86 TK1 (0.42) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL17409471 0.78 TK1 (0.44) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL17124833 0.78 TK1 (0.44) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL25492408 0.78 TK1 (0.44) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL17403368 0.78 TK1 (0.44) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL5705312 0.78 LMNA (0.46) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL25809594 0.75 TK1 (0.45) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL16378861 0.71 LMNA (0.49) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL29388908 0.71 LMNA (0.49) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL6910650 0.71 LMNA (0.44) LMNASMN1; SMN2ALOX12ADRA1ATK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516389-A Combination therapy for the treatment of viral infections UNITED THERAPEUTICS CORP (US) 2009-08-26 — — CN disclosed
EP-0594677-A4 ANTIVIRAL LIPONUCLEOSIDES: TREATMENT OF HEPATITIS B VICAL INC (US) 1997-09-17 — — EP disclosed
EP-0594677-A1 ANTIVIRAL LIPONUCLEOSIDES: TREATMENT OF HEPATITIS B NeXstar Pharmaceuticals, Inc. (US) 1994-05-04 — — EP disclosed
WO-1993000910-A1 ANTIVIRAL LIPONUCLEOSIDES: TREATMENT OF HEPATITIS B VICAL, INC. (US) 1993-01-21 — — WO disclosed
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