SCHEMBL11344976

SCHEMBL11344976

CN(C)C(=O)Sc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
CES2 O00748 1/20 0.46
KDM4E B2RXH2 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 1/20 0.46
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42

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
SCHEMBL9351813 0.83 CES2 (0.44) TP53MAPTCES2ALDH1A1
SCHEMBL9495646 0.80 CES2 (0.44) TP53CES2SLC6A2SLC6A4ALDH1A1
SCHEMBL10980133 0.76 TP53 (0.47) TP53MAPTCES2KDM4ESLC6A2
SCHEMBL22852718 0.76 TERT (0.47) ALDH1A1MEN1KMT2ALMNAGAA
Fluoride SCHEMBL11734957 0.75 TP53 (0.46) TP53MAPTCES2KDM4ESLC6A2
SCHEMBL11641105 0.75 ALDH1A1 (0.46) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL5152999 0.75 ALDH1A1 (0.45) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL4341929 0.74 ALDH1A1 (0.42) ALDH1A1GAAATML3MBTL1
SCHEMBL20888103 0.74 SLC6A2 (0.51) TP53MAPTCES2KDM4ESLC6A2
SCHEMBL6885547 0.73 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNAL3MBTL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4282168-A FUNGICIDES PPG INDUSTRIES, INC. (US) 1981-08-04 US disclosed
US-4213915-A FUNGICIDES, NEMATOCIDES PPG INDUSTRIES, INC. (US) 1980-07-22 US disclosed
US-4120886-A APHIDICIDES PPG INDUSTRIES, INC. (US) 1978-10-17 US disclosed
US-4117155-A APPLYING FUNGICIDE TO SOIL PPG INDUSTRIES, INC. (US) 1978-09-26 US disclosed
US-4075006-A PESTICIDES, NEMATOCIDES, FUNGICIDES PPG INDUSTRIES, INC. (US) 1978-02-21 US disclosed
US-4059609-A HERBICIDE, NEMATOCIDE, FUNGICIDE PPG INDUSTRIES, INC. (US) 1977-11-22 US disclosed
US-4056549-A PLANT PESTICIDE PPG INDUSTRIES, INC. (US) 1977-11-01 US disclosed
US-4055656-A S-ARYL-N-CYCLOALKYLTHIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 US disclosed
US-4055657-A S-ARYL-N-ALKYL-THIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 US disclosed