SCHEMBL1967281

SCHEMBL1967281

O=C1NCCCN1Cc1ccccc1NS(=O)(=O)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
PTGS1 P23219 8/20 0.41
PTGS2 P35354 8/20 0.41
CA2 P00918 1/20 0.40
DDR1 Q08345 1/20 0.36
PER2 O15055 1/20 0.36
OGFRL1 Q5TC84 1/20 0.33

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
SCHEMBL2579885 0.82 GRIN1 (0.40) MAPTALDH1A1KDM4EPOLBCYP1A2
SCHEMBL1964848 0.82 L3MBTL1 (0.47) ALDH1A1KDM4ECYP1A2CYP2C9SMN1; SMN2
SCHEMBL1963457 0.82 PTGS1 (0.42) KMT2APTGS1PTGS2CA2
SCHEMBL16862444 0.78 CA2 (0.38) MAPTALDH1A1KDM4ESMN1; SMN2PTGS1
SCHEMBL27834731 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL1964543 0.77 PTGS1 (0.40) MAPTKDM4EPTGS1PTGS2CA2
SCHEMBL16862440 0.77 CA2 (0.36) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL515027 0.75 CA2 (0.39) MAPTALDH1A1KDM4EPOLBCYP1A2
SCHEMBL513334 0.75 CA2 (0.39) ALDH1A1PTGS1PTGS2CA2PER2
SCHEMBL16862456 0.75 PTGS1 (0.37) MAPTSMN1; SMN2PTGS1PTGS2CA2

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
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed