SCHEMBL7929147

SCHEMBL7929147

O=S(=O)(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.62
KIF11 P52732 1/20 0.52
NOX4 Q9NPH5 1/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AKR1B1 P15121 1/20 0.49
ABCC9 O60706 1/20 0.45
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
KCNJ8 Q15842 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
MLYCD O95822 1/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 2/20 0.42
PTGS2 P35354 2/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL3151057 0.91 KIF11 (0.59) HSD11B1KIF11LMNAAKR1B1BCHE
SCHEMBL30072318 0.83 HSD11B1 (0.55) HSD11B1MEN1LMNAKMT2AAKR1B1
SCHEMBL4328574 0.83 HSD11B1 (0.55) HSD11B1MEN1LMNAKMT2AAKR1B1
SCHEMBL2882142 0.83 LMNA (0.50) HSD11B1KIF11NOX4MEN1LMNA
SCHEMBL2121770 0.83 HSD11B1 (0.55) HSD11B1MEN1LMNAKMT2AAKR1B1
SCHEMBL79787 0.83 HSD11B1 (0.55) HSD11B1MEN1LMNAKMT2AAKR1B1
SCHEMBL29039874 0.83 HSD11B1 (0.62) HSD11B1KIF11MEN1LMNAKMT2A
SCHEMBL14166805 0.82 KIF11 (0.45) HSD11B1KIF11NOX4MEN1LMNA
SCHEMBL15535303 0.81 CA1 (0.54) HSD11B1MEN1LMNAKMT2AAKR1B1
SCHEMBL4790085 0.81 HSD11B1 (0.66) HSD11B1MEN1LMNAKMT2ASMN1; SMN2

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
US-11844274-B2 Organic electroluminescence device and compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-12-12 US disclosed
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed