SCHEMBL5200630

SCHEMBL5200630

Cc1ccc(Cc2cnc([Si](C)(C)C(C)(C)C)n2S(=O)(=O)N(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 6/20 0.32
CYP3A4 P08684 3/20 0.32
MCOLN3 Q8TDD5 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
PDE2A O00408 1/20 0.32
PDE5A O76074 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
APEX1 P27695 1/20 0.32
PDE4A P27815 1/20 0.32
BLM P54132 1/20 0.32
PDE1B Q01064 1/20 0.32
PMP22 Q01453 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE1C Q14123 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
Dimethylformamide SCHEMBL27473049 0.86 MEN1 (0.32) MEN1KMT2AALDH1A1CYP3A4MCOLN3
SCHEMBL7101641 0.72 MEN1 (0.39) MEN1KMT2AALDH1A1CYP3A4MCOLN3
SCHEMBL7622153 0.72 SORD (0.32) RECQL
SCHEMBL4386625 0.68
SCHEMBL8172829 0.67
SCHEMBL17704660 0.67 ALDH1A1 (0.58) MEN1KMT2AALDH1A1CYP3A4MCOLN3
SCHEMBL8173247 0.66
SCHEMBL3749348 0.63 SMN1; SMN2 (0.30) KDM4EGAASMN1; SMN2
SCHEMBL5913394 0.62 ALDH1A1 (0.51) MEN1KMT2AALDH1A1CYP3A4NPSR1
SCHEMBL7842276 0.62 MEN1 (0.52) MEN1KMT2AALDH1A1CYP3A4NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP disclosed