SCHEMBL11633735

SCHEMBL11633735

NC(=O)C=CCNc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
TP53 P04637 2/20 0.42
TSHR P16473 2/20 0.42
EPHX2 P34913 2/20 0.42
EPHX1 P07099 1/20 0.42
CDK9 P50750 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
CYP1A2 P05177 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAOB P27338 2/20 0.41
EGFR P00533 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MAOA P21397 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL10805796 0.85 EPHX2 (0.45) KDM1AMAPTTP53TSHREPHX2
SCHEMBL20590123 0.85 EPHX2 (0.45) KDM1AMAPTTP53TSHREPHX2
SCHEMBL6135490 0.79 MAOB (0.63) KDM1AMAPTGAAGFERTP53
SCHEMBL14647878 0.77 ALDH1A1 (0.52) MAPTTP53TSHREPHX2EPHX1
SCHEMBL12710386 0.77 ALDH1A1 (0.52) MAPTTP53TSHREPHX2EPHX1
SCHEMBL11503570 0.76 LPAR1 (0.43) KDM1AMAPTALDH1A1HTT
SCHEMBL14854978 0.75 HDAC8 (0.46) TSHRCYP1A2MMP1MMP2MMP9
SCHEMBL9519629 0.75 MAPT (0.54) MAPTGAATP53SMN1; SMN2CYP1A2
SCHEMBL3631342 0.75 MAPT (0.54) MAPTGAATP53SMN1; SMN2CYP1A2
SCHEMBL646261 0.74 ALDH1A1 (0.44) KDM1AMAPTGAATP53TSHR

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-4096167-A Fungicidal and herbicidal alpha-haloacetanilides CHEVRON RESEARCH COMPANY (US) 1978-06-20 US disclosed