SCHEMBL28397279

SCHEMBL28397279

O=C(NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.66
KMT2A Q03164 10/20 0.64
MEN1 O00255 8/20 0.64
ALDH1A1 P00352 2/20 0.63
SGMS2 Q8NHU3 1/20 0.62
MAPT P10636 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.54
RAB9A P51151 1/20 0.54
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.52
F13A1 P00488 2/20 0.51
TGM2 P21980 2/20 0.51
TGM1 P22735 2/20 0.51
TGM6 O95932 1/20 0.51

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
SCHEMBL28890111 0.94 MEN1 (0.69) POLBKMT2AMEN1ALDH1A1SGMS2
SCHEMBL28402827 0.91 MEN1 (0.64) POLBKMT2AMEN1ALDH1A1SGMS2
SCHEMBL28406339 0.90 KMT2A (0.67) POLBKMT2AMEN1ALDH1A1SGMS2
SCHEMBL28402751 0.89 KMT2A (0.62) POLBKMT2AMEN1ALDH1A1SGMS2
SCHEMBL28398682 0.87 MEN1 (0.62) POLBKMT2AMEN1ALDH1A1SGMS2
SCHEMBL28397348 0.85 MEN1 (0.70) KMT2AMEN1ALDH1A1SGMS2TSHR
SCHEMBL28402448 0.85 MEN1 (0.70) KMT2AMEN1ALDH1A1SGMS2TSHR
SCHEMBL28404686 0.82 KMT2A (0.66) KMT2AMEN1ALDH1A1SGMS2MAPT
SCHEMBL28397282 0.82 MEN1 (0.61) POLBKMT2AMEN1ALDH1A1SGMS2
SCHEMBL28236200 0.79 KMT2A (0.64) POLBKMT2AMEN1ALDH1A1L3MBTL1

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-108440389-B 3,4, 5-trihydroxybenzoic acid derivative and preparation method and application thereof 山东大学 2020-05-29 CN disclosed