SCHEMBL27796262

SCHEMBL27796262

CC1(C)CN(Cc2ccccc2[N+](=O)[O-])CO1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
ALDH1A1 P00352 10/20 0.48
KDM4E B2RXH2 6/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CASP1 P29466 1/20 0.43
CASP4 P49662 1/20 0.43
CASP5 P51878 1/20 0.43
TSHR P16473 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
HTT P42858 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
SCHEMBL514504 0.78 ACHE (0.45) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL27814819 0.76 ACHE (0.66) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL12511057 0.76 ACHE (0.74) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL2372693 0.73 ACHE (0.70) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL9008678 0.73 ACHE (0.65) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL4586698 0.73 ACHE (0.69) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL14351628 0.72 ACHE (0.68) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL27397886 0.71 ACHE (0.67) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL27814896 0.70 ACHE (0.61) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL25292154 0.70 ACHE (0.61) ACHEALDH1A1KDM4EMEN1POLB

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
CN-101111485-B Novel haloalkylsulfonanilide derivatives, herbicides, and methods of use thereof NIHON NOHYAKU CO LTD 2010-10-27 CN disclosed