SCHEMBL9495334

SCHEMBL9495334

O=S(=O)(c1[c]cccc1)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.41
HSD11B1 P28845 1/20 0.40
KMT2A Q03164 3/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
NFE2L2 Q16236 4/20 0.37
HTR2A P28223 3/20 0.37
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.36
KAT6A Q92794 2/20 0.35
KCNA5 P22460 1/20 0.35
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
KCNH2 Q12809 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL150811 0.80 HTR6 (0.38) KMT2AMEN1
SCHEMBL6295690 0.79 KMT2A (0.33) KMT2AMEN1
SCHEMBL5146128 0.78 HSD11B1 (0.45) AKR1B1HSD11B1NFE2L2ABCC9ABCC8
SCHEMBL11692931 0.78 MYC (0.36) KMT2AMEN1L3MBTL1
SCHEMBL5144369 0.78 KDM4E (0.41) HSD11B1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL2124755 0.77 AKR1B1 (0.53) AKR1B1HSD11B1KMT2AHTR2CHTR2B
SCHEMBL250919 0.77 AKR1B1 (0.53) AKR1B1HSD11B1KMT2AHTR2CHTR2B
SCHEMBL30333632 0.77 AKR1B1 (0.53) AKR1B1HSD11B1KMT2AHTR2CHTR2B
SCHEMBL11048003 0.76 HTR6 (0.40) KMT2AMEN1
SCHEMBL10438578 0.74 PTGS2 (0.40) AKR1B1HSD11B1KMT2ANFE2L2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351332-B1 HERBICIDAL COMPOUNDS AND COMPOSITIONS CONTAINING THEM RHONE-POULENC AGROCHIMIE (FR) 1993-03-24 EP disclosed
EP-0398818-A1 Dihalogenated herbicidal sulfones RHONE-POULENC AGROCHIMIE (FR) 1990-11-22 EP disclosed
EP-0351332-A1 Herbicidal compounds and compositions containing them RHONE-POULENC AGROCHIMIE (FR) 1990-01-17 EP disclosed