SCHEMBL28537759

SCHEMBL28537759

CN(C)c1ccccc1C(=O)CN

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.62
TSHR P16473 2/20 0.62
ALDH1A1 P00352 2/20 0.62
TP53 P04637 2/20 0.62
MAPT P10636 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
CNR2 P34972 2/20 0.44
HDAC3 O15379 1/20 0.39
CHEK1 O14757 1/20 0.37
NEK2 P51955 1/20 0.37
LIMK1 P53667 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
BRD4 O60885 1/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL1193066 0.82 ALDH1A1 (0.64) GAATSHRALDH1A1TP53MAPT
Hydrochloric Acid SCHEMBL9151686 0.81 ALDH1A1 (0.62) GAATSHRALDH1A1TP53MAPT
SCHEMBL28170394 0.79 ALDH1A1 (0.60) GAATSHRALDH1A1TP53MAPT
SCHEMBL27533876 0.79 ALDH1A1 (0.46) GAATSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL30480611 0.78 MAPT (0.58) GAATSHRALDH1A1TP53MAPT
SCHEMBL147847 0.78 ALDH1A1 (0.69) GAATSHRALDH1A1TP53MAPT
SCHEMBL12506468 0.77 MAPT (0.75) GAATSHRALDH1A1TP53MAPT
SCHEMBL1227388 0.77 MAPT (1.00) GAATSHRALDH1A1TP53MAPT
SCHEMBL962276 0.77 ALDH1A1 (0.62) GAATSHRALDH1A1TP53MAPT
Bromide SCHEMBL6289071 0.77 ALDH1A1 (0.56) GAATSHRALDH1A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302668-A Method for determining target analytes by frequency detection 豪夫迈·罗氏有限公司 2024-07-05 CN disclosed
CN-116710783-A Detection of target analytes by cross-spray ESI mass spectrometry 豪夫迈·罗氏有限公司 2023-09-05 CN disclosed
CN-116615649-A Automated clinical diagnostic system and method 豪夫迈·罗氏有限公司 2023-08-18 CN disclosed
CN-116323568-A Detection of target analytes by nanoESI mass spectrometry 豪夫迈·罗氏有限公司 2023-06-23 CN disclosed
CN-115997270-A Method for determining at least one analyte of interest 豪夫迈·罗氏有限公司 2023-04-21 CN disclosed
CN-115667933-A Reagent for mass spectrometry 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
CN-115667220-A Benzyl pyridinium reagent for mass spectrum 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
CN-112492881-A Reagent for mass spectrometry 豪夫迈·罗氏有限公司 2021-03-12 CN disclosed
CN-112492882-A Reagent for mass spectrometry 豪夫迈·罗氏有限公司 2021-03-12 CN disclosed
CN-112449636-A Reagent for mass spectrometry 豪夫迈·罗氏有限公司 2021-03-05 CN disclosed