SCHEMBL29079448

SCHEMBL29079448

CN(C)c1ccccc1.O=COCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
NOX1 Q9Y5S8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
CHKA P35790 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MCL1 Q07820 1/20 0.42
G6PC1 P35575 1/20 0.41
RELA Q04206 1/20 0.40
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXFP1 Q9HBX9 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
Trimethylammonium SCHEMBL19813147 0.89 TSHR (0.44) ALDH1A1MAPTHPGDTSHR
SCHEMBL6828038 0.87 ALDH1A1 (0.50) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL503 0.84 TSHR (0.52) ALDH1A1LMNAMAPK1KMT2AMEN1
SCHEMBL901056 0.84 TSHR (0.52) ALDH1A1LMNAMAPK1KMT2AMEN1
Benzene SCHEMBL25178056 0.84 TSHR (0.52) ALDH1A1LMNAMAPK1KMT2AMEN1
SCHEMBL19269518 0.84 ALDH1A1 (0.44) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
Methylamine SCHEMBL27816806 0.83 IDO1 (0.48) ALDH1A1MAPTSMN1; SMN2MAPK1KMT2A
Methylamine SCHEMBL27600232 0.83 IDO1 (0.48) ALDH1A1MAPTSMN1; SMN2MAPK1KMT2A
Propane SCHEMBL27744553 0.83 TSHR (0.46) ALDH1A1MAPTMAPK1KMT2ATSHR
Hydrochloric Acid SCHEMBL4378719 0.82 TSHR (0.50) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1

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
CN-116804825-A Composition for forming silicon-containing metal hard mask and pattern forming method 信越化学工业株式会社 2023-09-26 CN disclosed