SCHEMBL28236200

SCHEMBL28236200

O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
ALDH1A1 P00352 4/20 0.58
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.50
TGM2 P21980 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL28235069 0.89 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1TSHR
SCHEMBL28890111 0.85 MEN1 (0.69) KMT2AMEN1ALDH1A1POLBPKM
SCHEMBL28397943 0.84 MEN1 (0.55) KMT2AMEN1ALDH1A1POLB
SCHEMBL29637964 0.83 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1TSHR
SCHEMBL28235066 0.82 MEN1 (0.56) KMT2AMEN1ALDH1A1POLB
SCHEMBL28235071 0.81 MEN1 (0.55) KMT2AMEN1ALDH1A1
SCHEMBL28402744 0.80 LMNA (0.54) KMT2AALDH1A1L3MBTL1PKMTSHR
SCHEMBL28235067 0.80 MEN1 (0.57) KMT2AMEN1ALDH1A1
SCHEMBL28862328 0.80 BRD4 (0.49) KMT2AMEN1ALDH1A1POLB
SCHEMBL28397279 0.79 POLB (0.66) KMT2AMEN1ALDH1A1POLBL3MBTL1

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-A 3,4,5-trihydroxy benzoic acid derivative and the preparation method and application thereof 山东大学 2018-08-24 CN disclosed