SCHEMBL10200330

SCHEMBL10200330

CC(C)(Oc1c(F)cccc1F)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
KCNN4 O15554 7/20 0.39
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
MAPT P10636 1/20 0.37
MGLL Q99685 1/20 0.37
PPARA Q07869 1/20 0.35
ADORA2A P29274 1/20 0.35
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
KRAS P01116 1/20 0.35
BCHE P06276 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7994922 0.83 KDM4E (0.49) KMT2ACES2CES1MAPTMGLL
SCHEMBL12670979 0.81 ADORA2A (0.41) KMT2ACES2CES1MAPTMGLL
SCHEMBL7994918 0.76 PPARA (0.53) PPARAALDH1A1
SCHEMBL16638710 0.73 KMT2A (0.36) KMT2ACES2CES1KRAS
SCHEMBL4688589 0.72 PPARA (0.48) KMT2AKCNN4MAPTPPARAALDH1A1
SCHEMBL3861716 0.71 MAPT (0.50) KMT2AKCNN4CES2CES1MAPT
SCHEMBL2822682 0.71 PPARA (0.54) KMT2AMAPTPPARAALDH1A1
SCHEMBL528652 0.70 LMNA (0.43) KMT2ACES2CES1MAPTKRAS
SCHEMBL2668164 0.70 GCK (0.45) KMT2AKCNN4CES2CES1MAPT
Hydrochloric Acid SCHEMBL28262394 0.69 LMNA (0.43) KMT2ACES2CES1MAPTKRAS

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-2125735-B1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2012-06-27 EP disclosed