SCHEMBL11667697

SCHEMBL11667697

O=S(=O)(O)Nc1ccccc1N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 2/20 0.59
TDP1 Q9NUW8 1/20 0.58
GAA P10253 1/20 0.57
ALDH1A1 P00352 9/20 0.56
POLB P06746 3/20 0.56
LMNA P02545 2/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
TSHR P16473 4/20 0.50
EPHX2 P34913 1/20 0.50
HPGD P15428 1/20 0.50
MAPK10 P53779 1/20 0.50
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL27183062 0.83 MCOLN3 (0.57) MCOLN3TDP1GAAALDH1A1POLB
SCHEMBL27183339 0.83 L3MBTL1 (0.59) MCOLN3TDP1GAAALDH1A1LMNA
SCHEMBL28215805 0.82 GAA (0.58) MCOLN3TDP1GAAALDH1A1POLB
SCHEMBL20910885 0.78 ALDH1A1 (0.68) TDP1GAAALDH1A1POLBCYP1A2
SCHEMBL4326786 0.76 ALDH1A1 (0.70) MCOLN3TDP1ALDH1A1POLBCYP1A2
SCHEMBL7258830 0.76 MAPT (0.60) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL11665137 0.75 ALDH1A1 (0.53) TDP1ALDH1A1POLBCYP1A2CYP3A4
SCHEMBL9555514 0.75 POLB (0.69) MCOLN3TDP1ALDH1A1POLBLMNA
SCHEMBL11666677 0.75 ALDH1A1 (0.52) MCOLN3GAAALDH1A1POLBCYP1A2
SCHEMBL6228918 0.75 ALDH1A1 (0.52) MCOLN3GAAALDH1A1POLBLMNA

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-4126442-A O-Phosphoroamidophenylmorpholine compounds and use as herbicides UNITED STATES BORAX & CHEMICAL CORP. (US) 1978-11-21 US disclosed