SCHEMBL28811177

SCHEMBL28811177

CC(C)(C)OOC(=O)c1ccc(C(=O)N2CCCC2)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 4/20 0.54
MAPT P10636 3/20 0.54
HTT P42858 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NOD2 Q9HC29 1/20 0.50
ALDH1A1 P00352 8/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 3/20 0.47
MAPK1 P28482 1/20 0.45
THRB P10828 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL28784217 0.99 L3MBTL3 (0.54) L3MBTL3L3MBTL1POLBMAPTHTT
SCHEMBL3513132 0.88 L3MBTL3 (0.57) L3MBTL3L3MBTL1POLBMAPTHTT
SCHEMBL3513630 0.87 L3MBTL3 (0.56) L3MBTL3L3MBTL1POLBMAPTHTT
SCHEMBL3511838 0.86 L3MBTL1 (0.54) L3MBTL3L3MBTL1POLBMAPTHTT
SCHEMBL20456915 0.83 L3MBTL3 (0.59) L3MBTL3L3MBTL1POLBMAPTHTT
SCHEMBL1354618 0.79 L3MBTL3 (0.62) L3MBTL3L3MBTL1POLBMAPTHTT
SCHEMBL3639905 0.79 L3MBTL1 (0.65) L3MBTL3L3MBTL1POLBMAPTHTT
SCHEMBL27720953 0.79 ALDH1A1 (0.43) POLBMAPTHTTSMN1; SMN2LMNA
SCHEMBL3512031 0.79 GAA (0.64) L3MBTL1HTTSMN1; SMN2LMNAMEN1
SCHEMBL17747815 0.76 SMN1; SMN2 (0.61) L3MBTL3L3MBTL1POLBMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103923072-A Substituted Indazole Derivatives Active As Kinase Inhibitors NERVIANO MEDICAL SCIENCES SRL 2014-07-16 CN disclosed
CN-101754956-B Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2014-04-23 CN disclosed