SCHEMBL28091168

SCHEMBL28091168

Cc1ccc(O)c(NC(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.49
IDO1 P14902 2/20 0.48
TRPA1 O75762 2/20 0.48
TP53 P04637 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
KCNMA1 Q12791 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
LMNA P02545 2/20 0.45
RAB9A P51151 1/20 0.45
CHRM1 P11229 1/20 0.45
SLC6A2 P23975 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR2B P41595 1/20 0.45
MAPT P10636 2/20 0.45
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL6130191 0.83 LMNA (0.50) GAAIDO1TRPA1TP53TDP1
SCHEMBL4543829 0.81 IDO1 (0.50) IDO1NPC1RAB9AMAPT
SCHEMBL27899417 0.79 GAA (0.45) GAATRPA1TP53TDP1KCNMA1
SCHEMBL5300758 0.78 RAPGEF4 (0.50) GAATP53TDP1SMN1; SMN2ALDH1A1
SCHEMBL10873030 0.78 KCNMA1 (0.50) GAAKCNMA1SMN1; SMN2LMNACHRM1
SCHEMBL19381672 0.78 ALOX5 (0.50) GAAIDO1TDP1MAPTALOX15
SCHEMBL12890447 0.78 IDO1 (0.47) IDO1KCNMA1MAPTALDH1A1MEN1
SCHEMBL29494159 0.76 TRPA1 (0.54) GAAIDO1TRPA1TP53TDP1
SCHEMBL3873734 0.76 TRPA1 (0.54) GAAIDO1TRPA1TP53TDP1
SCHEMBL6707715 0.75 TDP1 (0.48) GAATP53TDP1SMN1; SMN2NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105802610-B Fluorine ion fluorescent probe and application 中国科学院理化技术研究所 2018-05-04 CN disclosed
CN-105802610-A Fluorine ion fluorescent probe and application 中国科学院理化技术研究所 2016-07-27 CN disclosed