SCHEMBL7691990

SCHEMBL7691990

O=S1(=O)CC(S(=O)(=O)c2ccccc2)c2c(OCCc3ccncc3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.41
CYP11B2 P19099 12/20 0.41
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
LTA4H P09960 1/20 0.36
HTR6 P50406 1/20 0.36
CYP19A1 P11511 4/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
ABCB1 P08183 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC2A1 P11166 1/20 0.32

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
SCHEMBL7134215 0.95 CYP11B1 (0.37) CYP11B1CYP11B2CDK1CDK2TDP1
SCHEMBL7133297 0.90 ABCB1 (0.39) CYP11B1CYP11B2TDP1LTA4HHTR6
SCHEMBL7129966 0.89 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1
SCHEMBL7691988 0.89 CYP11B1 (0.41) CYP11B1CYP11B2CDK1CDK2TDP1
SCHEMBL7164804 0.84 PDE4A (0.39) CYP11B1CYP11B2CYP19A1
SCHEMBL7134212 0.84 CYP11B1 (0.36) CYP11B1CYP11B2CDK1CDK2TDP1
SCHEMBL7132423 0.83 TP53 (0.38) HTR6SMN1; SMN2
SCHEMBL7126737 0.82 HTR1B (0.37)
SCHEMBL7125665 0.82 KCNA3 (0.38)
SCHEMBL7127769 0.82 MEN1 (0.34) LMNA

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