SCHEMBL11435587

SCHEMBL11435587

C=CCc1cccc(CC)c1NC(C)COC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 4/20 0.37
ADRB2 P07550 3/20 0.37
ADRB1 P08588 3/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ADRA2C P18825 2/20 0.37
HTR1A P08908 1/20 0.37
ADRB3 P13945 1/20 0.37
SLC6A2 P23975 1/20 0.37
BDKRB2 P30411 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL11227410 0.88 MEN1 (0.44) KDM4EMEN1GAAKMT2AATM
SCHEMBL9058079 0.86 KDM4E (0.42) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL11434575 0.83 LMNA (0.36) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL3466659 0.80 KDM4E (0.49) KDM4EMEN1GAAKMT2AATM
SCHEMBL5794071 0.80 KDM4E (0.49) KDM4EMEN1GAAKMT2AATM
SCHEMBL3466658 0.80 KDM4E (0.49) KDM4EMEN1GAAKMT2AATM
SCHEMBL30776762 0.80 KDM4E (0.49) KDM4EMEN1GAAKMT2AATM
SCHEMBL11434577 0.77 KDM4E (0.45) KDM4EMEN1GAAKMT2AATM
SCHEMBL11489965 0.77 SCN5A (0.33) KDM4EMEN1GAAKMT2AATM
Bromide SCHEMBL813723 0.72 HTT (0.38) KDM4EALDH1A1TDP1KCNH2TSHR

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
US-4224050-A Chloroacetanilides having a selective herbicidal activity, ortho-alkenyl-substituted anilines, intermediates in the synthesis of said herbicidal chloroacetanilides, and methods for their preparation MONTEDISON S.P.A. (IT) 1980-09-23 US claimed