SCHEMBL22192247

SCHEMBL22192247

O=C(COc1ccc(NC(=O)c2ccc(OCCO)cc2)cc1)NCO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 4/20 0.52
MAPT P10636 2/20 0.52
STAT5A P42229 4/20 0.51
STAT5B P51692 4/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 2/20 0.50
TSHR P16473 1/20 0.50
MCL1 Q07820 1/20 0.50
HSD17B10 Q99714 1/20 0.50
XDH P47989 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
STAT3 P40763 1/20 0.49
CYP1A2 P05177 1/20 0.49
MCHR1 Q99705 2/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL22192693 0.90 KMT2A (0.54) KMT2AMEN1TDP1NPC1MAPT
SCHEMBL22192224 0.87 MAPT (0.64) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL5180990 0.87 MAPT (0.64) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL22192223 0.86 EPHX2 (0.51) KMT2AMEN1TDP1NPC1MAPT
SCHEMBL22192265 0.85 KMT2A (0.59) KMT2AMEN1TDP1NPC1MAPT
SCHEMBL8770602 0.83 GAA (0.64) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL22192695 0.83 RAB9A (0.72) KMT2AMEN1TDP1NPC1MAPT
SCHEMBL22192232 0.80 SMN1; SMN2 (0.62) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL22192244 0.80 MAPT (0.57) KMT2ANPC1MAPTALDH1A1KDM4E
SCHEMBL22192209 0.80 RAB9A (0.55) KMT2AMEN1TDP1NPC1MAPT

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
US-10703911-B2 Organic colorant, coloring composition, and inkjet ink RICOH COMPANY, LTD. (JP) 2020-07-07 US disclosed