SCHEMBL11435522

SCHEMBL11435522

C=CCN(C(=O)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.53
HSD11B1 P28845 3/20 0.48
RAB9A P51151 2/20 0.44
ESR1 P03372 1/20 0.42
TAS2R14 Q9NYV8 4/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
CXCR3 P49682 1/20 0.40
GAA P10253 1/20 0.39
C5AR1 P21730 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
DAGLA Q9Y4D2 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
ACLY P53396 1/20 0.36

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
SCHEMBL11435841 0.88 HSD11B1 (0.52) S1PR1HSD11B1RAB9AESR1TAS2R14
SCHEMBL10738637 0.87 HSD11B1 (0.46) S1PR1HSD11B1RAB9AESR1TAS2R14
SCHEMBL11442731 0.86 HSD11B1 (0.63) S1PR1HSD11B1RAB9AESR1TAS2R14
SCHEMBL11442727 0.85 HSD11B1 (0.50) S1PR1HSD11B1RAB9AESR1TAS2R14
SCHEMBL10745485 0.82 HSD11B1 (0.43) S1PR1HSD11B1RAB9AESR1TAS2R14
SCHEMBL11435835 0.81 ESR1 (0.44) S1PR1HSD11B1RAB9AESR1TAS2R14
SCHEMBL11440787 0.81 FLT1 (0.48) S1PR1HSD11B1RAB9AESR1TAS2R14
SCHEMBL11435843 0.81 S1PR1 (0.44) S1PR1HSD11B1RAB9AESR1TAS2R14
SCHEMBL11437067 0.80 CYP1A2 (0.43) S1PR1HSD11B1RAB9AESR1TAS2R14
SCHEMBL626506 0.77 S1PR1 (0.40) S1PR1HSD11B1RAB9AESR1TAS2R14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4233061-A PREEMERGENCE HERBICIDES FOR USE IN RICE PADDIES UTSUNOMIYA UNIVERSITY (JP) 1980-11-11 US disclosed
US-4157257-A HERBICIDES FOR APPLICATION TO AQUATIC RICE PADDIES UTSUNOMIYA UNIVERSITY (JP) 1979-06-05 US disclosed