SCHEMBL15468157

SCHEMBL15468157

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.43
MAPK1 P28482 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SYNJ2 O15056 3/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 2/20 0.40
HIF1A Q16665 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PPM1B O75688 1/20 0.39
TYMP P19971 1/20 0.39
LGALS9 O00182 1/20 0.39
LGALS1 P09382 1/20 0.39
LGALS3 P17931 1/20 0.39
LGALS7; LGALS7B P47929 1/20 0.39

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
SCHEMBL15468162 0.86 ALDH1A1 (0.47) ALDH1A1HTTLMNAMAPK1POLB
SCHEMBL22381598 0.85 ALDH1A1 (0.47) ALDH1A1HTTLMNAMAPK1POLB
SCHEMBL21450371 0.85 ALDH1A1 (0.47) ALDH1A1HTTLMNAMAPK1POLB
SCHEMBL21450370 0.85 ALDH1A1 (0.47) ALDH1A1HTTLMNAMAPK1POLB
SCHEMBL12948521 0.85 ALDH1A1 (0.47) ALDH1A1HTTLMNAMAPK1POLB
SCHEMBL15959291 0.85 ALDH1A1 (0.45) ALDH1A1HTTLMNAMAPK1POLB
SCHEMBL15468165 0.84 POLB (0.49) ALDH1A1MAPK1POLBGAANPSR1
SCHEMBL8393091 0.84 POLB (0.49) ALDH1A1MAPK1POLBGAANPSR1
SCHEMBL973605 0.84 POLB (0.49) ALDH1A1MAPK1POLBGAANPSR1
SCHEMBL4570559 0.84 POLB (0.49) ALDH1A1MAPK1POLBGAANPSR1

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