SCHEMBL28404686

SCHEMBL28404686

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
MEN1 O00255 2/20 0.66
ALDH1A1 P00352 1/20 0.65
SGMS2 Q8NHU3 1/20 0.64
PRKAA2 P54646 2/20 0.56
PRKAB2 O43741 1/20 0.56
PRKAG1 P54619 1/20 0.56
PRKAA1 Q13131 1/20 0.56
PRKAG3 Q9UGI9 1/20 0.56
PRKAG2 Q9UGJ0 1/20 0.56
PRKAB1 Q9Y478 1/20 0.56
KDM5A P29375 1/20 0.55
SLC6A12 P48065 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
MCHR1 Q99705 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL28410880 0.91 KMT2A (0.65) KMT2AMEN1ALDH1A1SGMS2KDM5A
SCHEMBL28398695 0.89 KMT2A (0.63) KMT2AMEN1ALDH1A1SGMS2KDM5A
SCHEMBL28403239 0.88 KMT2A (0.61) KMT2AMEN1ALDH1A1SGMS2KDM5A
SCHEMBL28235068 0.87 SLC6A12 (0.54) KMT2AMEN1ALDH1A1SGMS2PRKAA2
SCHEMBL28406276 0.84 KMT2A (0.67) KMT2AMEN1ALDH1A1SGMS2KDM5A
SCHEMBL28399006 0.83 KMT2A (0.60) KMT2AMEN1ALDH1A1SGMS2KDM5A
SCHEMBL28397279 0.82 POLB (0.66) KMT2AMEN1ALDH1A1SGMS2LMNA
SCHEMBL1424877 0.80 KMT2A (0.73) KMT2AMEN1PRKAA2PRKAB2PRKAG1
SCHEMBL28402448 0.78 MEN1 (0.70) KMT2AMEN1ALDH1A1SGMS2KDM5A
SCHEMBL28397348 0.78 MEN1 (0.70) KMT2AMEN1ALDH1A1SGMS2KDM5A

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