SCHEMBL4662973

SCHEMBL4662973

COc1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.58
F10 P00742 11/20 0.54
F2 P00734 1/20 0.54
ABL1 P00519 1/20 0.51
ABCB1 P08183 1/20 0.51
BCR P11274 1/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC4 P56524 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
PTPN1 P18031 1/20 0.49

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
SCHEMBL31331765 1.00 SCN9A (0.58) SCN9AF10F2ABL1ABCB1
SCHEMBL8662983 0.93 SCN9A (0.53) SCN9AF10F2ABL1ABCB1
SCHEMBL28447440 0.86 ABL1 (0.55) ABL1ABCB1BCRNPC1TP53
SCHEMBL8657061 0.85 PTGS2 (0.50) SCN9AF10ABL1ABCB1BCR
SCHEMBL8350056 0.85 CA1 (0.54) SCN9A
SCHEMBL27550657 0.84 PTGS2 (0.55) F10ABL1ABCB1BCRNPC1
SCHEMBL6536433 0.84 HDAC4 (0.56) SCN9AF10F2NPC1TP53
SCHEMBL8632216 0.83 SCN9A (0.46) SCN9AF10F2NPC1TP53
SCHEMBL890796 0.83 F10 (0.61) SCN9AF10F2
SCHEMBL8058097 0.83 ABL1 (0.51) SCN9AABL1ABCB1BCRNPC1

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