SCHEMBL6970435

SCHEMBL6970435

C#CC(O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
LMNA P02545 2/20 0.52
ACP3 P15309 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 4/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX5 P09917 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 1/20 0.44
ACHE P22303 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL8002226 0.85 TSHR (0.53) TSHRLMNAACP3L3MBTL1MEN1
SCHEMBL741878 0.83 TSHR (0.52) TSHRLMNAACP3L3MBTL1MEN1
SCHEMBL2023789 0.80 TSHR (0.61) TSHRLMNAACP3L3MBTL1MEN1
SCHEMBL6963691 0.79 ALDH1A1 (0.53) TSHRL3MBTL1MEN1HPGDKMT2A
SCHEMBL28599767 0.79 TSHR (0.50) TSHRLMNAACP3L3MBTL1MEN1
SCHEMBL31580477 0.77 MEN1 (0.61) TSHRLMNAACP3L3MBTL1MEN1
SCHEMBL3474640 0.77 MEN1 (0.61) TSHRLMNAACP3L3MBTL1MEN1
SCHEMBL28671145 0.77 TSHR (0.57) TSHRLMNAACP3L3MBTL1MEN1
SCHEMBL5717159 0.77 TSHR (0.57) TSHRLMNAACP3L3MBTL1MEN1
SCHEMBL2545597 0.77 MEN1 (0.61) TSHRLMNAACP3L3MBTL1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149092-B1 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
CN-1331689-A 4-and 5-alkynyloxindoles and 4-and 5-alkenyloxindoles HOFFMANN LA ROCHE (CH) 2002-01-16 CN disclosed
US-6313310-B1 JUN N-TERMINAL KINASE (JNK) ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS; RHEUMATIC ARTHRITIS AND NEURO-DEGENERATIVE DISEASE TREATMENT HOFFMANN-LA ROCHE INC. 2001-11-06 US disclosed
EP-1149092-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242478-B1 ANTICARCINOGENIC AGENTS; REPLICATION INHIBITORS OF HUMAN LYMPHADENOPATHY ASSOCIATED VIRUS(HIV) WAKE FOREST UNIVERSITY 2001-06-05 US disclosed
WO-2000035906-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed