SCHEMBL4072859

SCHEMBL4072859

CC(C)(C)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)c(-c3ccccn3)c[nH]c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.40
PARG Q86W56 1/20 0.39
USP30 Q70CQ3 1/20 0.38
POLB P06746 1/20 0.38
KAT6A Q92794 2/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5AP P20292 3/20 0.35
FEN1 P39748 3/20 0.35
LMNA P02545 1/20 0.35
PRF1 P14222 1/20 0.35

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
SCHEMBL6678664 0.82 CA2 (0.46) LMNA
SCHEMBL3667468 0.82 PARP1 (0.45) POLBALDH1A1CYP1A2MAPTSMN1; SMN2
SCHEMBL4072856 0.78 TNKS (0.45) MAPK10PARGPOLBKAT6AJAK2
SCHEMBL6680179 0.76 CHEK1 (0.39) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL6674838 0.74 CYP2A6 (0.55) SMN1; SMN2
SCHEMBL2921725 0.72 CDK2 (0.45) ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3667347 0.72 MAPK14 (0.42) ALDH1A1MAPTSMN1; SMN2JAK2JAK3
SCHEMBL3665777 0.72 CCNE1 (0.40) KAT6AALDH1A1SMN1; SMN2JAK3L3MBTL1
SCHEMBL6691807 0.71 PTGS2 (0.43)
SCHEMBL6679862 0.71 SMN1; SMN2 (0.44) POLBALDH1A1CYP2D6CYP2C19SMN1; SMN2

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-1300396-B1 1,2-DIHYDROPYRIDINE COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-01-14 EP disclosed