SCHEMBL5203582

SCHEMBL5203582

N#CCOc1cc(N)cc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 5/20 0.45
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41
VCAM1 P19320 1/20 0.40
XDH P47989 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM5 P41594 1/20 0.34

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
SCHEMBL5203318 0.89 VCAM1 (0.50) MAPTMEN1KMT2ALMNAVCAM1
SCHEMBL11547786 0.82 MAPT (0.59) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL11547097 0.82 MAPT (0.59) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5205713 0.81 S1PR4 (0.47) MAPTMEN1KMT2AALDH1A1VCAM1
SCHEMBL11544085 0.80 MAPT (0.57) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL11548540 0.80 MAPT (0.57) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3915652 0.79 ALDH1A1 (0.42) MAPTALDH1A1POLBHTTGAA
SCHEMBL10879037 0.79 MAPT (0.78) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3922061 0.76 MAPT (0.54) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL11256742 0.76 CHRNB2 (0.56) MAPTMEN1KMT2AALDH1A1LMNA

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