SCHEMBL22935779

SCHEMBL22935779

CC(C)(C)OC(=O)c1ccc2nc(CCl)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
APEX1 P27695 1/20 0.46
LCK P06239 1/20 0.45
SIRT2 Q8IXJ6 2/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
MAPK1 P28482 2/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
TPSAB1 Q15661 3/20 0.43
PRSS1 P07477 2/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL30469417 0.85 ALDH1A1 (0.60) NPSR1ALDH1A1KDM4ELMNAHTT
SCHEMBL24329791 0.85 ALDH1A1 (0.60) NPSR1ALDH1A1KDM4ELMNAHTT
Hydrochloric Acid SCHEMBL29737901 0.84 ALDH1A1 (0.59) NPSR1ALDH1A1KDM4ELMNAHTT
SCHEMBL6093891 0.75 SMN1; SMN2 (0.57) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL4065084 0.75 ABL1 (0.64) NPSR1ALDH1A1KDM4ELMNAHTT
SCHEMBL25926140 0.74 APEX1 (0.58) NPSR1ALDH1A1LMNAHTTAPEX1
SCHEMBL6472736 0.74 HSP90AA1 (0.57) NPSR1ALDH1A1KDM4ELMNAHTT
SCHEMBL13931450 0.73 NPSR1 (0.68) NPSR1ALDH1A1KDM4ELMNAHTT
SCHEMBL14347066 0.73 ALDH1A1 (0.61) NPSR1ALDH1A1KDM4ELMNAHTT
SCHEMBL31721196 0.72 LCK (0.68) NPSR1ALDH1A1KDM4ELMNAHTT

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
WO-2021018023-A1 SMALL MOLECULE GLP-1 RECEPTOR MODULATOR 济南泰达领创医药技术有限公司 2021-02-04 WO disclosed