SCHEMBL5325641

SCHEMBL5325641

COc1ccccc1S(=O)(=O)N1CCCN(c2c(Cl)cncc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.51
CHRM4 P08173 3/20 0.50
TSHR P16473 3/20 0.50
ALDH1A1 P00352 5/20 0.49
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.47
MAPT P10636 3/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GBA1 P04062 1/20 0.45

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
SCHEMBL5347507 0.86 CHRM4 (0.61) CHRM4TSHRALDH1A1KDM4EKMT2A
SCHEMBL5331427 0.85 CHRM4 (0.48) PKMCHRM4TSHRALDH1A1TP53
SCHEMBL14386523 0.82 CHRM4 (0.48) CHRM4TSHRALDH1A1KDM4EPOLB
SCHEMBL5329287 0.81 MEN1 (0.60) CHRM4TSHRALDH1A1TP53SMN1; SMN2
SCHEMBL3210281 0.80 CHRM4 (0.59) CHRM4TSHRGBA1
SCHEMBL5351297 0.80 KDM4E (0.59) PKMCHRM4TSHRALDH1A1SMN1; SMN2
SCHEMBL5349113 0.80 KMT2A (0.61) CHRM4TSHRALDH1A1KMT2ALMNA
SCHEMBL16707660 0.79 MEN1 (0.55) PKMALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL5327466 0.79 PKM (0.59) PKMTSHRALDH1A1TP53SMN1; SMN2
SCHEMBL5349081 0.78 TSHR (0.55) PKMTSHRALDH1A1POLBKMT2A

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