SCHEMBL15959291

SCHEMBL15959291

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.43
SYNJ2 O15056 3/20 0.43
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
SLC22A1 O15245 1/20 0.39
HIF1A Q16665 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
PPM1B O75688 1/20 0.39
TYMP P19971 1/20 0.39
LGALS9 O00182 1/20 0.38
LGALS1 P09382 1/20 0.38
LGALS3 P17931 1/20 0.38

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
SCHEMBL12459458 0.86 FOLH1 (0.44) ALDH1A1LMNAHTTSYNJ2MAPK1
SCHEMBL12582957 0.86 FOLH1 (0.44) ALDH1A1LMNAHTTSYNJ2MAPK1
SCHEMBL15468157 0.85 ALDH1A1 (0.48) ALDH1A1LMNAHTTSYNJ2MAPK1
SCHEMBL15468162 0.85 ALDH1A1 (0.47) ALDH1A1LMNAHTTSYNJ2MAPK1
SCHEMBL6273371 0.84 ALDH1A1 (0.53) ALDH1A1LMNAHTTSYNJ2MAPK1
SCHEMBL6273372 0.84 ALDH1A1 (0.53) ALDH1A1LMNAHTTSYNJ2MAPK1
SCHEMBL26287640 0.83 PTPN1 (0.46) ALDH1A1LMNAHTTSYNJ2MAPK1
SCHEMBL28647042 0.82 LMNA (0.49) ALDH1A1LMNAHTTSYNJ2MAPK1
SCHEMBL20691412 0.80 ALDH1A1 (0.48) ALDH1A1LMNAHTTSYNJ2MAPK1
SCHEMBL15468159 0.80 ALDH1A1 (0.46) ALDH1A1LMNAHTTSYNJ2MAPK1

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
EP-2404926-B1 Preparation of 2-chloro-9-(2'-deoxy-2'-fluoro-beta-D-arabinofuranosyl)-adenine SCINOPHARM TAIWAN LTD (TW) 2014-08-20 EP disclosed