SCHEMBL11529437

SCHEMBL11529437

COC(=O)c1sccc1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
SLC10A6 Q3KNW5 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 2/20 0.54
NPC1 O15118 1/20 0.51
LMNA P02545 2/20 0.51
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PARP14 Q460N5 1/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL11530053 0.83 ALDH1A1 (0.55) ALDH1A1SLC10A6L3MBTL1KMT2AMAPT
SCHEMBL11529714 0.83 ALDH1A1 (0.58) ALDH1A1SLC10A6L3MBTL1KMT2AMAPT
SCHEMBL2312520 0.79 ALDH1A1 (0.60) ALDH1A1L3MBTL1KMT2AMAPTMEN1
SCHEMBL28906801 0.79 ALDH1A1 (0.56) ALDH1A1SLC10A6L3MBTL1KMT2AMAPT
SCHEMBL1848834 0.78 ALDH1A1 (0.60) ALDH1A1SLC10A6L3MBTL1KMT2AMAPT
SCHEMBL11530646 0.78 LMNA (0.58) L3MBTL1KMT2AMAPTMEN1NPC1
SCHEMBL5804880 0.76 LMNA (0.68) ALDH1A1L3MBTL1KMT2AMAPTMEN1
SCHEMBL397773 0.74 MAPK1 (0.77) ALDH1A1L3MBTL1KMT2AMAPTMEN1
SCHEMBL16062225 0.74 PLK1 (0.61) ALDH1A1SLC10A6KMT2AMAPTMEN1
SCHEMBL3497986 0.74 MAPT (0.64) ALDH1A1L3MBTL1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4172831-A CENTRAL NERVOUS SYSTEM LILLY INDUSTRIES LIMITED (GB) 1979-10-30 US disclosed
US-4115568-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4115574-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed