SCHEMBL28067693

SCHEMBL28067693

Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)nc1N.Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
MTOR P42345 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TP53 P04637 2/20 0.55
THRB P10828 1/20 0.55
MDM2 Q00987 1/20 0.55
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
GMNN O75496 1/20 0.55
NFKB1 P19838 1/20 0.55
DNMT1 P26358 1/20 0.55
THPO P40225 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
BLM P54132 1/20 0.55
HBB P68871 1/20 0.55
PMP22 Q01453 1/20 0.55
PYGM P11217 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL41572 0.93 LMNA (0.62) LMNAMTORALDH1A1TP53THRB
SCHEMBL18512948 0.93 LMNA (0.62) LMNAMTORALDH1A1TP53THRB
SCHEMBL14441083 0.93 LMNA (0.62) LMNAMTORALDH1A1TP53THRB
SCHEMBL2584289 0.93 LMNA (0.62) LMNAMTORALDH1A1TP53THRB
SCHEMBL6297856 0.93 LMNA (0.62) LMNAMTORALDH1A1TP53THRB
SCHEMBL14929291 0.93 LMNA (0.62) LMNAMTORALDH1A1TP53THRB
SCHEMBL5953706 0.93 LMNA (0.62) LMNAMTORALDH1A1TP53THRB
SCHEMBL5953287 0.93 LMNA (0.62) LMNAMTORALDH1A1TP53THRB
SCHEMBL5697581 0.93 LMNA (0.62) LMNAMTORALDH1A1TP53THRB
SCHEMBL114751 0.93 LMNA (0.62) LMNAMTORALDH1A1TP53THRB

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
CN-104011224-B Methods and reagents for reducing non-specific amplification HOFFMAN-LA ROCHE LTD. (CH) 2016-05-25 CN disclosed