SCHEMBL28312404

SCHEMBL28312404

O=S(=O)(c1ccccc1)c1cccc(F)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.48
HTR6 P50406 6/20 0.46
KMT2A Q03164 1/20 0.45
ABCC9 O60706 2/20 0.42
ABCC8 Q09428 2/20 0.42
KCNJ11 Q14654 2/20 0.42
KCNJ8 Q15842 2/20 0.42
CNR1 P21554 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL29057982 0.85 ALDH1A1 (0.46) HSD11B1KMT2ACNR1POLB
SCHEMBL28312428 0.85 HSD11B1 (0.48) HSD11B1KMT2AABCC9ABCC8KCNJ11
SCHEMBL29058002 0.83 HSD11B1 (0.49) HSD11B1HTR6KMT2AABCC9ABCC8
SCHEMBL29057974 0.83 ABCC9 (0.44) HSD11B1HTR6KMT2AABCC9ABCC8
SCHEMBL30394065 0.83 ABCC9 (0.44) HSD11B1HTR6KMT2AABCC9ABCC8
SCHEMBL29057923 0.82 PKM (0.50) HSD11B1KMT2AGAA
SCHEMBL4617322 0.81 HTR6 (0.44) HSD11B1HTR6KMT2ATSHRHTT
SCHEMBL28312442 0.80 HSD11B1 (0.49) HSD11B1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL28311452 0.80 CA1 (0.43) HSD11B1KMT2ACNR1SLC22A12CA1
SCHEMBL29058030 0.79 ABCC9 (0.47) HTR6KMT2AABCC9ABCC8KCNJ11

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
CN-110117264-B Phenyl sulfone derivative and application thereof in medicines 广东东阳光药业有限公司 2023-06-09 CN disclosed
CN-110117264-A Phenyl sulfone derivative and its application on drug 广东东阳光药业有限公司 2019-08-13 CN disclosed