SCHEMBL535781

SCHEMBL535781

NC(=O)Cc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
LMNA P02545 5/20 0.44
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HTT P42858 3/20 0.40
GAA P10253 2/20 0.40
MCL1 Q07820 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK14 Q16539 5/20 0.39
GSK3A P49840 4/20 0.39
SRC P12931 4/20 0.37
CTSB P07858 4/20 0.37
SYK P43405 3/20 0.37
F10 P00742 1/20 0.37
JMJD7 P0C870 1/20 0.37

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
SCHEMBL2472026 0.85 CTSV (0.41) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL2553633 0.83 CYP11B1 (0.43) MAPTLMNAMAPK14CTSBJMJD7
SCHEMBL2473217 0.83 MAPT (0.43) MAPTLMNAALDH1A1TDP1SMN1; SMN2
SCHEMBL29662541 0.80 MAPT (0.50) MAPTLMNAALDH1A1TDP1SMN1; SMN2
SCHEMBL535504 0.80 MAPT (0.50) MAPTLMNAALDH1A1TDP1SMN1; SMN2
SCHEMBL2475270 0.79 ALDH1A1 (0.42) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL29186391 0.79 MAPT (0.47) MAPTLMNAALDH1A1TDP1SMN1; SMN2
SCHEMBL2473665 0.79 ALDH1A1 (0.48) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL2891270 0.77 MAPT (0.41) MAPTLMNAALDH1A1TDP1SMN1; SMN2
SCHEMBL2562936 0.77 MAPK14 (0.49) MAPTLMNAALDH1A1TDP1SMN1; SMN2

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
EP-2414347-A1 P38MAP KINASE INHIBITOR Respivert Limited (GB) 2012-02-08 EP disclosed
EP-2370429-A1 P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2011-10-05 EP disclosed