SCHEMBL5202899

SCHEMBL5202899

O=[N+]([O-])c1cccc(OCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
LMNA P02545 2/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
PTGS2 P35354 1/20 0.47
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CYP19A1 P11511 2/20 0.40
FAAH O00519 2/20 0.40
MAOB P27338 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6674214 0.82 KCNH2 (0.46) CYP19A1
SCHEMBL5203299 0.80 MAOB (0.50) MAOB
SCHEMBL7673104 0.75 POLB (0.41) MAPTSMN1; SMN2LMNAPKMRAB9A
SCHEMBL5203659 0.75 DRD2 (0.47) SMN1; SMN2RAB9A
SCHEMBL7818117 0.74 SIRT2 (0.44) MAPTSMN1; SMN2RAB9ACYP19A1MAOB
SCHEMBL7384162 0.74 ALDH1A1 (0.53) SMN1; SMN2LMNARAB9ACYP19A1MEN1
SCHEMBL14988594 0.73 TLR4 (0.63) MAPTSMN1; SMN2RXFP1LMNAPKM
SCHEMBL5827681 0.73 MAPT (0.58) MAPTSMN1; SMN2LMNARAB9ACYP19A1
SCHEMBL5827682 0.73 MAPT (0.58) MAPTSMN1; SMN2LMNARAB9ACYP19A1
SCHEMBL30443578 0.72 MAOB (0.63) MAPTLMNARAB9ACHRNB2CHRNA4

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 9 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
CN-1262547-C Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative HOFFMANN LA ROCHE (CH) 2006-07-05 CN disclosed
CN-1176910-C Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives - 2004-11-24 CN disclosed
CN-1515559-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN disclosed
CN-1515562-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN 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
CN-1203228-A Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives HOFFMANN LA ROCHE (CH) 1998-12-30 CN disclosed