SCHEMBL22728275

SCHEMBL22728275

C/C=C1/CC(=O)N(c2ccccc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.53
▸ TLR9 Q9NR96 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ CASP6 P55212 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ OPRK1 P41145 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ MGLL Q99685 1/20 0.39

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
SCHEMBL11043255 0.81 GAA (0.49) GAATLR9PKMKDM4EL3MBTL1
SCHEMBL28650531 0.81 KDM4E (0.65) GAATLR9PKMKDM4EL3MBTL1
SCHEMBL11763282 0.77 ALDH1A1 (0.43) GAAKDM4EL3MBTL1POLBMAPT
SCHEMBL11763276 0.77 ALDH1A1 (0.43) GAAKDM4EL3MBTL1POLBMAPT
SCHEMBL9786540 0.75 GAA (0.53) GAATLR9PKMKDM4EL3MBTL1
SCHEMBL12081988 0.74 MEN1 (0.64) GAATLR9PKMPOLBMAPT
SCHEMBL22580612 0.74 MEN1 (0.64) GAATLR9PKMPOLBMAPT
SCHEMBL31482006 0.72 POLB (0.44) GAATLR9PKMKDM4EL3MBTL1
SCHEMBL225820 0.72 GAA (0.58) GAATLR9PKMKDM4EL3MBTL1
SCHEMBL437784 0.70 HPGD (0.59) GAATLR9PKMMAPTHPGD

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
Send feedback