SCHEMBL5325655

SCHEMBL5325655

O=S(=O)(c1cccc(Cl)c1)N1CCCN(c2c(Cl)cncc2Cl)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
LMNA P02545 3/20 0.53
TSHR P16473 2/20 0.53
HSD11B1 P28845 1/20 0.51
CHRM4 P08173 1/20 0.50
GBA1 P04062 2/20 0.49
CHRM1 P11229 1/20 0.48
HTT P42858 3/20 0.46
PKM P14618 1/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL3216015 0.95 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL5347306 0.88 LMNA (0.53) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL16707660 0.87 MEN1 (0.55) ALDH1A1MEN1KMT2ALMNAHSD11B1
SCHEMBL5455187 0.85 KDM4E (0.61) LMNAHSD11B1GBA1HTTPKM
SCHEMBL5349081 0.85 TSHR (0.55) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL5323174 0.83 MCOLN3 (0.60) MEN1KMT2ALMNATSHRHSD11B1
SCHEMBL16707645 0.82 FKBP1A (0.45) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL5369578 0.81 HSD11B1 (0.49) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL21599202 0.80 ALDH1A1 (0.51) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL5326546 0.80 MAPT (0.57) ALDH1A1MEN1KMT2ALMNATSHR

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