SCHEMBL15468161

SCHEMBL15468161

O=COC1[C@@H](F)[C@H](O)O[C@@H]1COC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
SYNJ2 O15056 3/20 0.38
HTT P42858 1/20 0.37
PPM1B O75688 1/20 0.37
HIF1A Q16665 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
LGALS9 O00182 1/20 0.37
LGALS1 P09382 1/20 0.37
LGALS3 P17931 1/20 0.37
LGALS7; LGALS7B P47929 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
SCHEMBL16756804 0.87 POLB (0.50) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL26906433 0.87 POLB (0.50) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL15480819 0.87 POLB (0.50) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL21894771 0.87 POLB (0.50) ALDH1A1LMNAPOLBKMT2AMEN1
Bromide SCHEMBL6394977 0.86 POLB (0.49) ALDH1A1LMNAPOLBKMT2AMEN1
Bromide SCHEMBL5004971 0.86 POLB (0.49) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL8357802 0.84 TSHR (0.51) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL18880006 0.83 KMT2A (0.48) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL15468162 0.83 ALDH1A1 (0.47) ALDH1A1LMNAPOLBKMT2AMAPK1
SCHEMBL17359607 0.81 LMNA (0.45) ALDH1A1LMNAPOLBKMT2AMEN1

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-8648188-B2 Preparation of 2-chloro-9-(2′-deoxy-2′-fluoro-β-D-arabinofuranosyl)-adenine SCINOPHARM TAIWAN, LTD. (TW) 2014-02-11 US disclosed