SCHEMBL5326546

SCHEMBL5326546

O=S(=O)(c1ccc(F)cc1)N1CCCN(c2c(Cl)cncc2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
KMT2A Q03164 4/20 0.55
LMNA P02545 4/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 3/20 0.55
HTT P42858 2/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
HPGD P15428 1/20 0.52
PKM P14618 2/20 0.51
L3MBTL1 Q9Y468 4/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.49
TP53 P04637 1/20 0.49
NAMPT P43490 1/20 0.48
HSD11B1 P28845 1/20 0.47
POLB P06746 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
SCHEMBL5323167 0.87 PKM (0.64) KMT2ALMNAALDH1A1MEN1HTT
SCHEMBL16707660 0.87 MEN1 (0.55) KMT2ALMNAALDH1A1MEN1HTT
SCHEMBL5357244 0.86 KDM4E (0.66) KMT2ALMNAALDH1A1MAPK1PKM
SCHEMBL5352439 0.85 MCOLN3 (0.50) KMT2ALMNAALDH1A1MEN1HTT
SCHEMBL5360178 0.84 KMT2A (0.57) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL5327466 0.84 PKM (0.59) MAPTKMT2ALMNAALDH1A1HTT
SCHEMBL16707647 0.83 FKBP1A (0.58) MAPTKMT2ALMNAALDH1A1MEN1
SCHEMBL5351313 0.83 ALDH1A1 (0.61) MAPTKMT2ALMNAALDH1A1TSHR
SCHEMBL14386681 0.81 GCK (0.56) MAPTLMNAALDH1A1PKML3MBTL1
SCHEMBL5323174 0.81 MCOLN3 (0.60) KMT2ALMNAMEN1HTTTSHR

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
WO-2007122411-A1 DIAZEPAN-1-YL-SULFONYL DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME ASTRAZENECA AB (SE) 2007-11-01 WO claimed
WO-2007122411-A1 DIAZEPAN-1-YL-SULFONYL DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME ASTRAZENECA AB (SE) 2007-11-01 WO disclosed
WO-2007122411-A1 DIAZEPAN-1-YL-SULFONYL DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME ASTRAZENECA AB (SE) 2007-11-01 WO disclosed