SCHEMBL28159883

SCHEMBL28159883

O=S(=O)(c1cc(Cl)c(-c2ccccc2)c(C(F)(F)F)c1)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
GAA P10253 3/20 0.54
MEN1 O00255 3/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 2/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
HSD11B1 P28845 1/20 0.46
TSHR P16473 1/20 0.45
TP53 P04637 1/20 0.45
CNR1 P21554 1/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 2/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL28847087 0.86 TSHR (0.54) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL17394409 0.81 POLB (0.49) KMT2AGAAMEN1POLBHTT
SCHEMBL17407160 0.80 POLB (0.47) KMT2AGAAMEN1POLBALDH1A1
SCHEMBL28022895 0.79 MMP7 (0.40) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL28022392 0.78 MEN1 (0.47) KMT2AGAAMEN1POLBALDH1A1
SCHEMBL28022345 0.77 PTGS2 (0.44)
SCHEMBL17394413 0.76 USP2 (0.44) KMT2AGAAMEN1POLBALDH1A1
SCHEMBL29483537 0.73 TSHR (0.66) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL17393795 0.73 JAK2 (0.43)
SCHEMBL28022383 0.72 SFRP1 (0.44) KMT2AALDH1A1LMNAHTTTSHR

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-105102449-B Antiviral compound 豪夫迈·罗氏有限公司 2017-06-13 CN disclosed