SCHEMBL28166017

SCHEMBL28166017

Cc1cc(S(C)(=O)=O)ccc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
SLC9A1 P19634 1/20 0.42
BRD4 O60885 1/20 0.41
MAPK1 P28482 1/20 0.41
CA2 P00918 1/20 0.41
ENPP2 Q13822 1/20 0.41
G6PD P11413 1/20 0.41
IDE P14735 1/20 0.41

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
SCHEMBL2773556 0.85 CA2 (0.55) IKBKBCHUKMKNK1MKNK2CA2
SCHEMBL4959356 0.85 MAPK1 (0.55) LMNAIKBKBCHUKBRD4MAPK1
SCHEMBL27891624 0.85 LMNA (0.49) LMNAENPP2
SCHEMBL1017780 0.83 LMNA (0.61) LMNAMAPK1ENPP2
SCHEMBL1482128 0.83 LMNA (0.47) LMNAENPP2
SCHEMBL22148182 0.81 G6PD (0.49) LMNAIKBKBCHUKBRD4CA2
SCHEMBL27462999 0.81 LMNA (0.50) LMNAENPP2
SCHEMBL2911234 0.81 SMN1; SMN2 (0.49) LMNAIKBKBCHUKSLC9A1BRD4
SCHEMBL27780444 0.81 LMNA (0.42) LMNASLC9A1ENPP2G6PDIDE
SCHEMBL4369013 0.80 DGAT1 (0.53) LMNAIKBKBCHUKBRD4CA2

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-103649053-B Aminomethyl quinolone compounds 霍夫曼-拉罗奇有限公司 2017-07-04 CN disclosed