SCHEMBL6534840

SCHEMBL6534840

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC=CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.46
TK2 O00142 2/20 0.46
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
F2 P00734 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX12 P18054 1/20 0.41
ADRA1A P35348 1/20 0.41
FGF1 P05230 1/20 0.40
FGF2 P09038 1/20 0.40
VEGFA P15692 1/20 0.40
HPSE Q9Y251 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
MEN1 O00255 1/20 0.40
ABL1 P00519 1/20 0.40

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
SCHEMBL5685965 0.87 F2 (0.47) F2
SCHEMBL21909 0.84 PLCD1 (0.48) F2FGF1FGF2VEGFAHPSE
SCHEMBL1926090 0.84 PLCD1 (0.48) F2FGF1FGF2VEGFAHPSE
Doxribtimine SCHEMBL4277671 0.80 TDP1 (0.52) TK1TK2LMNASMN1; SMN2F2
Biotin SCHEMBL9489122 0.76 F2 (0.48) LMNAF2TDP1MEN1ABL1
SCHEMBL7532610 0.76 PLCD1 (0.48) F2FGF1FGF2VEGFAHPSE
SCHEMBL28312091 0.75 TYMS (0.52) F2
SCHEMBL9504909 0.75 LMNA (0.59) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL38652488 0.74 F2 (0.64) TK1F2TDP1
SCHEMBL9004512 0.74 F2 (0.43) F2FGF1FGF2VEGFAHPSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098990-A4 BLOCKED-POLYMERASE POLYNUCLEOTIDE IMMUNOASSAY METHOD AND KIT CASHMAN DANIEL P (US) 2004-08-18 EP disclosed
EP-1098990-A1 BLOCKED-POLYMERASE POLYNUCLEOTIDE IMMUNOASSAY METHOD AND KIT Cashman, Daniel P. (US) 2001-05-16 EP disclosed
WO-2000034519-A1 BLOCKED-POLYMERASE POLYNUCLEOTIDE IMMUNOASSAY METHOD AND KIT CASHMAN DANIEL P (US) 2000-06-15 WO disclosed