SCHEMBL2910797

SCHEMBL2910797

O=C1NC(=O)C(N=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.56
BRAF P15056 1/20 0.53
MEN1 O00255 11/20 0.53
KMT2A Q03164 11/20 0.53
HPGD P15428 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALOX12 P18054 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CASP3 P42574 1/20 0.53
BLM P54132 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MAPK1 P28482 2/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
HTT P42858 5/20 0.51
MCL1 Q07820 2/20 0.48

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
SCHEMBL2911361 0.87 MAPT (0.58) MAPTBRAFMEN1KMT2AHPGD
SCHEMBL16268566 0.86 MAPT (0.57) MAPTBRAFMEN1KMT2AHPGD
SCHEMBL2905363 0.82 KMT2A (0.50) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL2987018 0.78 KMT2A (0.49) MAPTBRAFMEN1KMT2AHPGD
SCHEMBL7538746 0.77 LMNA (0.54) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL2903627 0.76 KMT2A (0.52) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL2910665 0.75 KMT2A (0.40) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL975915 0.73 MAPT (0.77) MAPTBRAFMEN1KMT2AHPGD
SCHEMBL975916 0.73 MAPT (0.77) MAPTBRAFMEN1KMT2AHPGD
SCHEMBL1960867 0.73 MAPT (1.00) MAPTBRAFMEN1KMT2AHPGD

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
EP-2219605-A1 CO-SOLVENT COMPOSITIONS AND METHODS FOR IMPROVED DELIVERY OF DANTROLENE THERAPEUTIC AGENTS US Worldmeds LLC (US) 2010-08-25 EP disclosed
WO-2009048698-A9 CO-SOLVENT COMPOSITIONS AND METHODS FOR IMPROVED DELIVERY OF DANTROLENE THERAPEUTIC AGENTS US WORLDMEDS LLC (US) 2009-11-19 WO disclosed
WO-2009048698-A1 CO-SOLVENT COMPOSITIONS AND METHODS FOR IMPROVED DELIVERY OF DANTROLENE THERAPEUTIC AGENTS US WORLDMEDS LLC (US) 2009-04-16 WO disclosed