SCHEMBL11440952

SCHEMBL11440952

CC=Cc1ccccc1N(C(=O)C(Cl)CC)C(C)COC

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
THRB P10828 1/20 0.32
GBA1 P04062 1/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 2/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6642557 0.82 KDM4E (0.42) MEN1KMT2ATHRBKDM4EHPGD
SCHEMBL17377307 0.82 KDM4E (0.42) MEN1KMT2ATHRBKDM4EHPGD
SCHEMBL10958809 0.78 ALDH1A1 (0.43) MEN1KMT2ATHRBKDM4EHPGD
SCHEMBL11433907 0.76 CYP3A4 (0.32) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL11500198 0.73 TDP1 (0.41) MEN1KMT2AGBA1ALDH1A1SMN1; SMN2
SCHEMBL11425928 0.72 TP53 (0.34) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL2043131 0.72 ALDH1A1 (0.40) MEN1KMT2ATHRBKDM4EHPGD
SCHEMBL11451628 0.71 POLQ (0.40) MEN1KMT2ATHRBKDM4EHPGD
SCHEMBL10371941 0.70 THRB (0.42) MEN1KMT2ATHRBKDM4EHPGD
SCHEMBL11478365 0.69 KDM4E (0.34) MEN1KMT2AKDM4EHPGDALDH1A1

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