SCHEMBL7689835

SCHEMBL7689835

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 3/20 0.45
HTR6 P50406 3/20 0.40
LTA4H P09960 2/20 0.40
STS P08842 1/20 0.39
LMNA P02545 2/20 0.39
ESR1 P03372 4/20 0.39
CYP2D6 P10635 2/20 0.38
MAPT P10636 2/20 0.38
ESR2 Q92731 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
NR1I2 O75469 1/20 0.38
PRKD3 O94806 1/20 0.38
ABCB11 O95342 1/20 0.38
EGFR P00533 1/20 0.38
GBA1 P04062 1/20 0.38
NR3C1 P04150 1/20 0.38
ERBB2 P04626 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 0.92 KDM4E (0.45) KDM4EALDH1A1HTR6LTA4HSTS
SCHEMBL7689836 0.88 KDM4E (0.46) KDM4EALDH1A1HTR6LTA4HSTS
SCHEMBL7133293 0.88 KAT6A (0.39) LMNANPC1KMT2A
SCHEMBL7697797 0.87 LTA4H (0.41) KDM4EALDH1A1HTR6LTA4HSTS
SCHEMBL7132896 0.87 CHRNB2 (0.43) KDM4EALDH1A1LTA4HLMNAESR1
SCHEMBL7248289 0.87 KDM4E (0.45) KDM4EALDH1A1HTR6LMNAESR1
Hydrochloric Acid SCHEMBL7158756 0.86 LTA4H (0.40) KDM4EALDH1A1HTR6LTA4HSTS
SCHEMBL7131503 0.86 KAT6A (0.43) LTA4HTP53HTR2A
SCHEMBL7130918 0.86 ITGB3 (0.40) LTA4HESR1ESR2CYP3A4HTR2A
SCHEMBL7132803 0.86 KAT6A (0.35) SLC6A2SLC6A4SLC6A3FGFR1SRC

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