SCHEMBL5201446

SCHEMBL5201446

Cc1c([N+](=O)[O-])cc(C(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
CCR6 P51684 1/20 0.47
CYP1A2 P05177 2/20 0.47
TSHR P16473 5/20 0.42
CYP3A4 P08684 3/20 0.42
GPR35 Q9HC97 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.39
RECQL P46063 1/20 0.38
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL11800210 0.83 TSHR (0.39) TDP1CYP1A2TSHRCYP3A4GPR35
SCHEMBL10797402 0.81 TSHR (0.50) TDP1CYP1A2TSHRCYP3A4GPR35
SCHEMBL5078794 0.81 GPR35 (0.61) TDP1CYP1A2GPR35ALDH1A1CYP2C9
SCHEMBL31212653 0.79 AKR1C3 (0.45) TDP1CCR6CYP1A2TSHRGPR35
SCHEMBL2436243 0.78 TSHR (0.56) TDP1TSHRCYP3A4SMN1; SMN2ALDH1A1
SCHEMBL11575207 0.78 CYP1A2 (0.44) TDP1CYP1A2CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL689130 0.78 TPMT (0.46) TDP1TSHRCYP3A4ALDH1A1HSD17B10
SCHEMBL4547845 0.77 TSHR (0.55) TDP1CYP1A2TSHRCYP3A4GPR35
SCHEMBL260768 0.77 GPR35 (0.67) TDP1CCR6CYP1A2TSHRCYP3A4
SCHEMBL11574717 0.76 CYP1A2 (0.50) TDP1CYP1A2CYP3A4SMN1; SMN2ALDH1A1

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
US-7351513-B2 Planographic printing plate precursor, substrate for the same and surface hydrophilic material FUJIFILM CORPORATION (JP) 2008-04-01 US disclosed
US-20080071054-A1 Planographic printing plate precursor, substrate for the same and surface hydrophilic material FUJIFILM CORPORATION (JP) 2008-03-20 US disclosed
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-7306850-B2 Planographic printing plate precursor, substrate for the same and surface hydrophilic material FUJIFILM CORPORATION (JP) 2007-12-11 US disclosed
US-7273691-B2 Planographic printing plate precursor, substrate for the same and surface hydrophilic material FUJIFILM CORPORATION (JP) 2007-09-25 US disclosed
US-20070122745-A1 Planographic printing plate precursor, substrate for the same and surface hydrophilic material FUJI PHOTO FILM CO., LTD. (JP) 2007-05-31 US 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