SCHEMBL8059950

SCHEMBL8059950

COc1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccccc3)c(C#N)c2)cc1F.COc1ccc(S(=O)(=O)c2cccc(C(=O)O)c2OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MMP2 P08253 6/20 0.38
MMP8 P22894 6/20 0.38
MMP12 P39900 6/20 0.38
MMP13 P45452 6/20 0.38
MMP14 P50281 6/20 0.38
MMP16 P51512 6/20 0.38
MMP9 P14780 5/20 0.38
SLC22A12 Q96S37 3/20 0.37
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
MMP3 P08254 3/20 0.36
MMP1 P03956 2/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35

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
SCHEMBL7540134 0.82 KDM4E (0.47) MEN1KMT2ASLC22A12ABCC9ABCC8
SCHEMBL7534915 0.77 KDM4E (0.52) MEN1KMT2AMMP2MMP8MMP12
SCHEMBL7535488 0.74 MEN1 (0.49) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL7533901 0.72 LMNA (0.52) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7533132 0.70 LMNA (0.50) MEN1KMT2ASLC22A12ABCC9ABCC8
SCHEMBL7540327 0.68 POLB (0.50) KMT2ASLC22A12
SCHEMBL7535538 0.67 PKM (0.56) SLC22A12TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7813282 0.67 LMNA (0.55) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL7540150 0.67 MAPT (0.58) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL12504669 0.66 ACLY (0.51) MEN1KMT2A

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-1005453-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK, INC. (US) 2000-06-07 EP claimed
WO-1999010320-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK INC. (US) 1999-03-04 WO claimed