SCHEMBL8539813

SCHEMBL8539813

Cc1cc(S(=O)(=O)c2ccccc2)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.44
CNR2 P34972 2/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 3/20 0.39
LMNA P02545 1/20 0.39
HSD11B1 P28845 1/20 0.39
GFER P55789 1/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6719348 0.84 SLC9A1 (0.57) SLC9A1
SCHEMBL8541283 0.83 CA12 (0.41) CNR2GAAALDH1A1KDM4EPKM
SCHEMBL6934544 0.80 SLC9A1 (0.75) SLC9A1
SCHEMBL8541935 0.80 ABCC9 (0.44) GAAALDH1A1KDM4EPKMHPGD
SCHEMBL8545020 0.79 KIF18A (0.54) GAAALDH1A1PKMHPGDPOLB
SCHEMBL8542825 0.76 SLC9A1 (0.49) SLC9A1
SCHEMBL8536954 0.76 SLC9A1 (0.49) SLC9A1
SCHEMBL8634362 0.75 NSD2 (0.40) SLC9A1POLBL3MBTL1
SCHEMBL8635463 0.75 AKR1C3 (0.45) GAAALDH1A1KDM4EPOLBGFER
SCHEMBL8925113 0.75 CA12 (0.45) ALDH1A1HPGDL3MBTL1

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
CN-1071743-C Sulfuryl or sulfinyl benzoyl guanidine derivative MERCK PATENT GMBH (DE) 2001-09-26 CN disclosed
US-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 US disclosed
CN-1148590-A Sulfuryl or sulfinyl benzoyl guanidine derivative MERCK PATENT GMBH (DE) 1997-04-30 CN disclosed