SCHEMBL5203871

SCHEMBL5203871

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPT P10636 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
PRMT1 Q99873 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALOX5 P09917 1/20 0.40
DHODH Q02127 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
MMP1 P03956 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
SCHEMBL5840995 0.85 RAB9A (0.41) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL1697905 0.84 RAB9A (0.61) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL27362417 0.82 PRMT1 (0.43) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL10305757 0.81 SIRT2 (0.47) MAPTNPC1RAB9ALMNAMAPK1
SCHEMBL16356866 0.81 HTT (0.40) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL20045617 0.81 RAB9A (0.60) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL7448057 0.81 ALDH1A1 (0.48) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL22897658 0.80 MAPT (0.49) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL9116516 0.80 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL396839 0.80 MAPK1 (0.47) ALDH1A1MAPTNPC1RAB9ALMNA

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