SCHEMBL2987018

SCHEMBL2987018

Cc1c(-c2ccc(C=N[C@H]3NC(=O)NC3=O)o2)cccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
MEN1 O00255 4/20 0.49
PKM P14618 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 8/20 0.43
ALDH1A1 P00352 7/20 0.43
HPGD P15428 6/20 0.43
APOBEC3G Q9HC16 1/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
THRB P10828 2/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
BRAF P15056 1/20 0.41
INSR P06213 1/20 0.41
IGF1R P08069 1/20 0.41

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
SCHEMBL2905363 0.80 KMT2A (0.50) KMT2AMEN1PKMNPSR1KDM4E
SCHEMBL2910797 0.78 MAPT (0.56) KMT2AMEN1NPSR1MAPTALDH1A1
SCHEMBL2911361 0.77 MAPT (0.58) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL16268566 0.76 MAPT (0.57) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL7538746 0.76 LMNA (0.54) KMT2AMEN1NPSR1KDM4EMAPT
SCHEMBL5145199 0.75 KMT2A (0.79) KMT2AMEN1PKMNPSR1KDM4E
SCHEMBL976342 0.74 MAPT (0.62) KMT2AMEN1PKMNPSR1KDM4E
SCHEMBL2909012 0.71 INSR (0.50) KMT2AMEN1NPSR1KDM4EMAPT
SCHEMBL2903627 0.70 KMT2A (0.52) KMT2AMEN1PKMNPSR1KDM4E
SCHEMBL2911157 0.67 MEN1 (0.38) KMT2AMEN1KDM4EMAPTALDH1A1

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 claimed
WO-2009048698-A9 CO-SOLVENT COMPOSITIONS AND METHODS FOR IMPROVED DELIVERY OF DANTROLENE THERAPEUTIC AGENTS US WORLDMEDS LLC (US) 2009-11-19 WO claimed
WO-2009048698-A1 CO-SOLVENT COMPOSITIONS AND METHODS FOR IMPROVED DELIVERY OF DANTROLENE THERAPEUTIC AGENTS US WORLDMEDS LLC (US) 2009-04-16 WO claimed