SCHEMBL22728271

SCHEMBL22728271

C=C1CC(=O)N(OCc2ccccc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
GAA P10253 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 1/20 0.39
TSHR P16473 2/20 0.39
KCNA5 P22460 3/20 0.37
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
APAF1 O14727 2/20 0.36
HPGD P15428 1/20 0.36
APP P05067 1/20 0.35
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL22728448 0.80 KMT2A (0.45) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL17639962 0.78 KMT2A (0.80) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL27286547 0.77 MEN1 (0.48) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL20997478 0.75 ALOX12 (0.54) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL1929687 0.75 ALOX12 (0.54) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL5014355 0.74 MEN1 (0.51) KMT2AMEN1GAAL3MBTL1POLB
Hydrochloric Acid SCHEMBL6606867 0.74 ALOX12 (0.53) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL9178601 0.72 MEN1 (0.57) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL6524461 0.72 KMT2A (0.74) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL29367470 0.72 KMT2A (0.74) KMT2AMEN1GAAL3MBTL1POLB

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-20200377713-A1 POLYMERS, PHOTORESIST COMPOSITIONS AND PATTERN FORMATION METHODS ROHM AND HAAS ELECTRONIC MATERIALS LLC 2020-12-03 US disclosed