SCHEMBL28080768

SCHEMBL28080768

FC(F)(F)N(C(=S)NC1CCCCC1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
GAA P10253 2/20 0.55
HTT P42858 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PKM P14618 1/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX12 P18054 1/20 0.43
EPHX1 P07099 1/20 0.42

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
SCHEMBL28728491 0.82 PKM (0.62) LMNAGAAHTTPKMNPC1
SCHEMBL3483509 0.73 L3MBTL1 (0.56) LMNAGAAHTTL3MBTL1PKM
SCHEMBL28067711 0.73 L3MBTL1 (0.39) LMNAGAAL3MBTL1SMN1; SMN2MEN1
SCHEMBL19924470 0.71 LMNA (1.00) LMNAGAAHTTPKMNPC1
SCHEMBL11327830 0.69 ALDH1A1 (0.41) LMNAGAAL3MBTL1SMN1; SMN2MEN1
SCHEMBL15400233 0.69 RAB9A (0.60) LMNAGAAHTTL3MBTL1PKM
SCHEMBL28812462 0.68 ALDH1A1 (0.48) LMNAGAAHTTL3MBTL1PKM
SCHEMBL9317294 0.67 RAB9A (0.63) LMNAGAAHTTL3MBTL1NPC1
SCHEMBL11537146 0.67 PKM (0.71) LMNAGAAHTTPKMNPC1
SCHEMBL9547523 0.67 PKM (0.71) LMNAGAAHTTPKMNPC1

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-105792814-A Polycarbonates bearing aromatic N-heterocycles for drug delivery 国际商业机器公司 2016-07-20 CN disclosed