SCHEMBL15468162

SCHEMBL15468162

O=C(OC[C@H]1O[C@@H](O)[C@H](F)C1O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HTT P42858 1/20 0.45
SYNJ2 O15056 3/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
HIF1A Q16665 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
PPM1B O75688 1/20 0.41

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
SCHEMBL28647042 0.89 LMNA (0.49) ALDH1A1HTTSYNJ2LMNAMAPK1
SCHEMBL15468157 0.86 ALDH1A1 (0.48) ALDH1A1HTTSYNJ2LMNAMAPK1
SCHEMBL26287640 0.86 PTPN1 (0.46) ALDH1A1HTTSYNJ2LMNAMAPK1
SCHEMBL26455064 0.85 ALDH1A1 (0.49) ALDH1A1HTTSYNJ2MAPK1POLB
SCHEMBL9245476 0.85 ALDH1A1 (0.49) ALDH1A1HTTSYNJ2MAPK1POLB
SCHEMBL9245472 0.85 ALDH1A1 (0.49) ALDH1A1HTTSYNJ2MAPK1POLB
SCHEMBL16756804 0.85 POLB (0.50) ALDH1A1LMNAMAPK1POLBGAA
SCHEMBL15959291 0.85 ALDH1A1 (0.45) ALDH1A1HTTSYNJ2LMNAMAPK1
SCHEMBL21894771 0.85 POLB (0.50) ALDH1A1LMNAMAPK1POLBGAA
SCHEMBL15480819 0.85 POLB (0.50) ALDH1A1LMNAMAPK1POLBGAA

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