SCHEMBL14653307

SCHEMBL14653307

CC(=O)Oc1ccc2c3c(ccc2c1)C1(OC(=O)c2ccccc21)c1ccc(N(C)C)cc1O3

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
ALDH1A1 P00352 3/20 0.66
HTT P42858 2/20 0.66
LMNA P02545 2/20 0.66
USP2 O75604 2/20 0.66
GSTP1 P09211 1/20 0.50
CYP3A4 P08684 2/20 0.46
FTO Q9C0B1 3/20 0.43
HPGD P15428 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
RECQL P46063 2/20 0.43
BLM P54132 2/20 0.43
PRMT1 Q99873 2/20 0.43
ACE2 Q9BYF1 2/20 0.43
CYP2C19 P33261 1/20 0.43
SMAD3 P84022 1/20 0.43
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5267867 0.93 MAPT (0.77) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL10378226 0.90 MEN1 (0.52) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL31110328 0.89 MAPT (0.69) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL5267339 0.85 GSTP1 (0.47) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL5271242 0.85 FTO (0.60) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL31689739 0.84 MAPT (0.45) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL17863886 0.83 MAPT (0.50) MAPTMEN1KMT2AALDH1A1HTT
Fluorescein Diacetate SCHEMBL31658971 0.80 MAPT (1.00) MAPTMEN1KMT2AALDH1A1HTT
Fluorescein Diacetate SCHEMBL1028369 0.80 MAPT (1.00) MAPTMEN1KMT2AALDH1A1HTT
Fluorescein Diacetate SCHEMBL29353816 0.80 MAPT (1.00) MAPTMEN1KMT2AALDH1A1HTT

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
WO-2013012687-A2 COMBINATIONS OF FLUORPHORES AND PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS, INC. (US) 2013-01-24 WO disclosed