SCHEMBL7248289

SCHEMBL7248289

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CACNA1B Q00975 3/20 0.42
ESR1 P03372 2/20 0.42
LSS P48449 1/20 0.41
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR6 P50406 2/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
CACNA1H O95180 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
LMNA P02545 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
SCHEMBL7132102 0.95 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2ESR1MAPT
SCHEMBL7248291 0.89 CACNA1B (0.43) KDM4EALDH1A1SMN1; SMN2CACNA1BESR1
SCHEMBL7123146 0.88 PPARD (0.45) LMNA
SCHEMBL7129823 0.88 MAOB (0.39) KDM4EALDH1A1SMN1; SMN2ESR1
SCHEMBL7131920 0.88 KAT6A (0.45) KMT2A
SCHEMBL7130847 0.87 KAT6A (0.38) KDM4EFGFR1SRCHRH3
SCHEMBL7689835 0.87 KDM4E (0.45) KDM4EALDH1A1ESR1MAPTKMT2A
SCHEMBL7130348 0.86 ITGB3 (0.39)
SCHEMBL7129812 0.86 KAT6A (0.37) KDM4EHRH3
Hydrochloric Acid SCHEMBL7159041 0.85 ITGB3 (0.38)

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