SCHEMBL9129705

SCHEMBL9129705

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3ccccc32)C[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.42
TOP2A P11388 4/20 0.37
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
ADRB1 P08588 1/20 0.36
DNMT1 P26358 1/20 0.36
HIF1A Q16665 1/20 0.36
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
KMT2A Q03164 1/20 0.35
TYMS P04818 1/20 0.35
ATG7 O95352 1/20 0.35

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
SCHEMBL9129707 1.00 TYMP (0.42) TYMPTOP2APIM1CSNK2A2CSNK2B
SCHEMBL9126597 0.81 PIM1 (0.54) PIM1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL9126599 0.81 PIM1 (0.54) PIM1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL9128612 0.79 DRD2 (0.40) DRD2SLC6A4KMT2A
SCHEMBL9128609 0.79 DRD2 (0.40) DRD2SLC6A4KMT2A
SCHEMBL24512397 0.76 DNMT1 (0.67) TYMPTOP2AADRB1DNMT1ATG7
SCHEMBL23371822 0.76 DNMT1 (0.67) TYMPTOP2AADRB1DNMT1ATG7
SCHEMBL20651314 0.76 DNMT1 (0.67) TYMPTOP2AADRB1DNMT1ATG7
SCHEMBL23358428 0.76 DNMT1 (0.67) TYMPTOP2AADRB1DNMT1ATG7
SCHEMBL4783238 0.75 HIF1A (0.53) TYMPHIF1A

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
US-5446139-A Purine analog nucleoside and nucleotide compounds BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 US disclosed