SCHEMBL4664487

SCHEMBL4664487

O=S(=O)(NCc1ccccc1F)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.68
KMT2A Q03164 3/20 0.63
KEAP1 Q14145 1/20 0.59
KDM4E B2RXH2 3/20 0.56
POLB P06746 2/20 0.56
NAMPT P43490 1/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 2/20 0.53
RECQL P46063 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
AKR1C3 P42330 1/20 0.51
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
GBA1 P04062 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL29258799 0.87 LMNA (0.60) LMNAKMT2AKDM4EPOLBNAMPT
SCHEMBL29540801 0.87 KEAP1 (0.70) LMNAKMT2AKEAP1KDM4EPOLB
SCHEMBL20946398 0.84 LMNA (0.57) LMNAKMT2AKEAP1KDM4EPOLB
SCHEMBL29258367 0.83 CYP19A1 (0.59) LMNAKMT2ANAMPTMEN1CA12
SCHEMBL20233106 0.83 LMNA (0.54) LMNAKMT2AKEAP1KDM4EPOLB
SCHEMBL7207429 0.83 KEAP1 (0.56) LMNAKMT2AKEAP1KDM4EPOLB
SCHEMBL13973160 0.81 KMT2A (0.54) LMNAKMT2AKEAP1KDM4EPOLB
SCHEMBL22233855 0.80 CYP19A1 (0.65) KMT2AKEAP1POLBMEN1GAA
SCHEMBL13959177 0.80 KMT2A (0.52) LMNAKMT2AKEAP1KDM4EPOLB
SCHEMBL4662993 0.79 POLB (0.70) LMNAKMT2AKEAP1POLBMEN1

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
EP-2007760-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIZIN-3-ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-31 EP disclosed
WO-2007108569-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIZIN-3-ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-09-27 WO disclosed