SCHEMBL2873282

SCHEMBL2873282

Cc1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)n(F)c1=O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TK1 P04183 3/20 0.49
ALOX12 P18054 1/20 0.49
ADRA1A P35348 1/20 0.49
TK2 O00142 1/20 0.48
ADRB1 P08588 1/20 0.46
DNMT1 P26358 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL2873281 1.00 LMNA (0.52) LMNASMN1; SMN2TK1ALOX12ADRA1A
SCHEMBL6258929 0.86 TK1 (0.50) LMNASMN1; SMN2TK1ALOX12ADRA1A
3-Methylthymidine SCHEMBL28122219 0.86 TK1 (0.50) LMNASMN1; SMN2TK1ALOX12ADRA1A
3-Methylthymidine SCHEMBL2246880 0.86 TK1 (0.50) LMNASMN1; SMN2TK1ALOX12ADRA1A
3-Methylthymidine SCHEMBL6062749 0.86 TK1 (0.50) LMNASMN1; SMN2TK1ALOX12ADRA1A
SCHEMBL7745421 0.86 TK1 (0.50) LMNASMN1; SMN2TK1ALOX12ADRA1A
3-Methylthymidine SCHEMBL17794002 0.86 TK1 (0.50) LMNASMN1; SMN2TK1ALOX12ADRA1A
SCHEMBL1885915 0.85 TK1 (0.49) LMNASMN1; SMN2TK1ALOX12ADRA1A
SCHEMBL1885914 0.85 TK1 (0.49) LMNASMN1; SMN2TK1ALOX12ADRA1A
SCHEMBL5179808 0.85 TK1 (0.49) LMNASMN1; SMN2TK1ALOX12ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1121232-C Pharmaceutical composition for treating herpes BIO PHARMA SCIENCES BV (NL) 2003-09-17 CN claimed
EP-0808168-B1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF HERPES BIO PHARMA SCIENCES BV (NL) 2002-10-16 EP claimed
US-6284289-B1 FOR THERAPY OF HERPES SIMPLEX INFECTIONS BIO PHARMA SCIENCES B.V. (NL) 2001-09-04 US claimed
CN-1173820-A Pharmaceutical composition for the treatment of herpes BIO PHARMA SCIENCES BV (NL) 1998-02-18 CN claimed
EP-0808168-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF HERPES Bio Pharma Sciences B.V. (NL) 1997-11-26 EP claimed
WO-1996024367-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF HERPES BIO PHARMA SCIENCES B.V. (NL) 1996-08-15 WO claimed
US-20120142631-A1 MEDICINAL ANTIDIAPER RASH CREAM INCORPORATING A BIOPOLYMER AND A PROCESS TO MAKE IT APEX LABORATORIES PRIVATE LIMITED (IN) 2012-06-07 US disclosed
WO-2010122490-A2 A MEDICINAL ANTI DIAPER RASH CREAM INCORPORATING A BIOPOLYMER AND A PROCESS TO MAKE IT VANANGAMUDI SULUR SUBRAMANIAM (IN) 2010-10-28 WO disclosed
EP-2212320-A1 CHEMICAL SYNTHESIS OF I-124BETA CIT IODINE-124 [2-BETA-CARBOMETHOXY-3BETA- (4. -IODOPHENYL) -TROPANE] FOR PET INVESTIGATIONS AND FOR RADIOTHERAPY A.C.O.M. Advanced Center Oncology Macerata S.p.a. (IT) 2010-08-04 EP disclosed
WO-2009143985-A1 NEW MOLECULE 5-HYDROXY-L-(4-HYDROXY-3-[124I]IODO-5-METHOXYPHENYL)-7- (4-HYDROXY-3-METHOXYPHENYL)-L,4,6-HEPTATRIEN-3-ONE FOR PET INVESTIGATIONS AND RADIOTHERAPY. SPARKLE S.R.L. (IT) 2009-12-03 WO disclosed
WO-2009141137-A2 NEW MOLECULE [124I][2-(3'-IODO-4'-METHYLAMINOPHENYL)-6-HYDROXY-BENZOTHIALZOLE] FOR PET INVESTIGATIONS AND RADIOTHERAPY SPARKLE S.R.L. (IT) 2009-11-26 WO disclosed
WO-2009046897-A1 CHEMICAL SYNTHESIS OF I-124BETA CIT IODINE-124 [2-BETA-CARBOMETHOXY-3BETA- (4. -IODOPHENYL) -TROPANE] FOR PET INVESTIGATIONS AND FOR RADIOTHERAPY A.C.O.M ADVANCED CENTER ONCOLOGY MACERATA S.P.A. (IT) 2009-04-16 WO disclosed
CN-1255422-C Nucleosides MEDIVIR AB (SE) 2006-05-10 CN disclosed
CN-1121232-C Pharmaceutical composition for treating herpes BIO PHARMA SCIENCES BV (NL) 2003-09-17 CN disclosed
US-6284289-B1 FOR THERAPY OF HERPES SIMPLEX INFECTIONS BIO PHARMA SCIENCES B.V. (NL) 2001-09-04 US disclosed
CN-1290268-A Nucleosides MEDIVIR AB (SE) 2001-04-04 CN disclosed