SCHEMBL5200620

SCHEMBL5200620

Cc1ccc([N+](=O)[O-])c(C)c1CBr

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TDP1 Q9NUW8 5/20 0.48
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 1/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL27475187 0.86 TSHR (0.46) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL16129107 0.85 TSHR (0.48) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL29800961 0.85 TSHR (0.48) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL11741640 0.83 TSHR (0.50) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL7566838 0.82 TSHR (0.47) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL6645181 0.81 TSHR (0.48) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL1584530 0.81 TSHR (0.48) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL18698098 0.79 HSD17B10 (0.40) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL10758951 0.79 TDP1 (0.43) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL1613286 0.78 TDP1 (0.55) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1

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