SCHEMBL6938558

SCHEMBL6938558

CN(C)C(=O)Sc1ccc(CC(=O)ON=O)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
CYP1A2 P05177 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 2/20 0.33
CYP2D6 P10635 1/20 0.33
GAA P10253 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GFER P55789 1/20 0.33
CA2 P00918 1/20 0.33
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL3232439 0.86 ALDH1A1 (0.47) L3MBTL1LMNATSHRGAAALDH1A1
SCHEMBL13742168 0.84 MAPT (0.41) L3MBTL1CRHBPCRHR2CYP1A2SIGMAR1
SCHEMBL4031971 0.81 CA2 (0.51) TDP1LMNAPOLBTSHRGAA
SCHEMBL6936444 0.74 MAPT (0.36) LMNAHTTTSHRALDH1A1MAPT
SCHEMBL7904922 0.71 ALDH1A1 (0.45) L3MBTL1LMNATSHRGAAALDH1A1
SCHEMBL3483627 0.70 ALDH1A1 (0.40) TDP1POLBHSP90AA1HTTALDH1A1
SCHEMBL11074404 0.69 PDE7A (0.46) LMNAHTTTSHRALOX15ALDH1A1
SCHEMBL4102194 0.68 LMNA (0.59) L3MBTL1TDP1LMNAPOLBCYP1A2
SCHEMBL2970186 0.68 ALDH1A1 (0.47) L3MBTL1LMNAHTTTSHRGAA
SCHEMBL1865811 0.67 ALDH1A1 (0.53) LMNATSHRGAAALDH1A1GFER

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
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed