SCHEMBL5202894

SCHEMBL5202894

Cc1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
TSHR P16473 6/20 0.47
ALDH1A1 P00352 6/20 0.47
CYP3A4 P08684 4/20 0.47
RECQL P46063 2/20 0.47
TDP1 Q9NUW8 6/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
BLM P54132 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
KMT2A Q03164 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL1828689 0.86 TSHR (0.48) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL5203798 0.85 CYP1A2 (0.56) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL27445177 0.85 TSHR (0.47) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL9793418 0.84 GRIN2D (0.46) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL10623111 0.82 ALDH1A1 (0.46) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL2581016 0.82 CYP1A2 (0.62) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL9121102 0.82 CYP1A2 (0.57) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL32659681 0.81 GRIN2D (0.46) CYP1A2TSHRALDH1A1CYP3A4RECQL
Nitric Acid SCHEMBL11648056 0.81 TSHR (0.44) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL6671674 0.81 CYP1A2 (0.52) CYP1A2TSHRALDH1A1CYP3A4RECQL

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