SCHEMBL7248291

SCHEMBL7248291

CN(C)CCCOc1ccc2c(c1)S(=O)(=O)CC2S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LSS P48449 1/20 0.41
ESR1 P03372 1/20 0.40
CACNA1H O95180 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HTR6 P50406 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 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
SCHEMBL7132106 0.95 KDM4E (0.43) CACNA1BKDM4EALDH1A1SMN1; SMN2ESR1
SCHEMBL7248289 0.89 KDM4E (0.45) CACNA1BKDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL7123149 0.88 PPARD (0.43) CA1CA2CA9
SCHEMBL7129818 0.88 MAOB (0.38) CACNA1BCA1CA2CA9
SCHEMBL7131916 0.87 CA1 (0.47) CA1CA2CA9
SCHEMBL7689836 0.86 KDM4E (0.46) KDM4EALDH1A1ESR1HTR6SIGMAR1
SCHEMBL7130350 0.86 CA1 (0.40) CA1CA2CA9
SCHEMBL7129814 0.86 CA2 (0.38) CA1CA2CA9
SCHEMBL7130849 0.86 SLC10A2 (0.39) CA1CA2CA9
Hydrochloric Acid SCHEMBL7159037 0.85 CA1 (0.40) CA1CA2CA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420391-B1 PREVENTION AND/OR TREATMENT OF VARIOUS INFLAMMATORY DISEASES, SEPSIS, MULTIPLE MYELOMA, PLASMA CELL LEUKEMIA, OSTEOPOROSIS, CACHEXIA, PSORIASIS, NEPHRITIS, RENAL CELL CARCINOMA, KAPOSI'S SARCOMA, RHEUMATOID ARTHRITIS, GAMMOPATHY, CASTLEMAN'S ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1067128-A1 FUSED THIOPHENE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP claimed
US-6555555-B1 Inhibitors of interleukin-6 and/or interleukin-12; for example 4,5-dimethyl-1,1-dioxidebenzo(b)thiophene; treating various inflammatory diseases, autoimmune diseases, cancer, osteoporosis ONO PHARMACEUTICAL CO., LTD. (JP) 2003-04-29 US disclosed
US-6420391-B1 PREVENTION AND/OR TREATMENT OF VARIOUS INFLAMMATORY DISEASES, SEPSIS, MULTIPLE MYELOMA, PLASMA CELL LEUKEMIA, OSTEOPOROSIS, CACHEXIA, PSORIASIS, NEPHRITIS, RENAL CELL CARCINOMA, KAPOSI'S SARCOMA, RHEUMATOID ARTHRITIS, GAMMOPATHY, CASTLEMAN'S ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1067128-A1 FUSED THIOPHENE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP disclosed