SCHEMBL7689836

SCHEMBL7689836

CN(C)CCOc1ccc2c(c1)C(S(=O)(=O)c1ccccc1)CS2(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
LTA4H P09960 2/20 0.40
HTR6 P50406 2/20 0.40
SLC10A2 Q12908 1/20 0.38
STS P08842 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
LMNA P02545 1/20 0.37
ESR1 P03372 2/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
MCHR1 Q99705 1/20 0.37
CYP2D6 P10635 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
NR1I2 O75469 1/20 0.37

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 0.92 KDM4E (0.43) KDM4EALDH1A1LTA4HHTR6STS
SCHEMBL7689835 0.88 KDM4E (0.45) KDM4EALDH1A1LTA4HHTR6STS
SCHEMBL7133298 0.88 KAT6A (0.37) ALDH1A1SLC10A2LMNAKMT2A
SCHEMBL7697799 0.87 LTA4H (0.42) KDM4EALDH1A1LTA4HHTR6SLC10A2
SCHEMBL7248291 0.86 CACNA1B (0.43) KDM4EALDH1A1HTR6SIGMAR1ESR1
SCHEMBL7132898 0.86 CHRNB2 (0.41) KDM4EALDH1A1LTA4HSLC10A2LMNA
SCHEMBL7131499 0.86 SLC10A2 (0.43) LTA4HSLC10A2TP53HTR2A
Hydrochloric Acid SCHEMBL7158750 0.86 LTA4H (0.41) KDM4EALDH1A1LTA4HHTR6SLC10A2
SCHEMBL7130925 0.86 ITGB3 (0.39) LTA4HSLC10A2ESR1CYP3A4HTR2A
Hydrochloric Acid SCHEMBL7160325 0.85 CHRNB2 (0.40) KDM4EALDH1A1LTA4HLMNAESR1

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 2 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