SCHEMBL14565643

SCHEMBL14565643

COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc3ccccc3nc2c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
HCRTR1 O43613 1/20 0.60
NPBWR1 P48145 1/20 0.59
MCHR1 Q99705 1/20 0.59
LNPEP Q9UIQ6 1/20 0.58
ERAP2 Q6P179 1/20 0.57
TYMS P04818 1/20 0.57
TACR1 P25103 4/20 0.57
P2RY12 Q9H244 1/20 0.55
MAPT P10636 1/20 0.55

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
SCHEMBL14565649 0.91 KMT2A (0.55) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL14565644 0.89 ERAP2 (0.72) LNPEPERAP2
SCHEMBL14565641 0.89 MEN1 (0.52) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL14565639 0.89 NAMPT (0.66) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL18620488 0.86 KMT2A (0.64) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL22292158 0.86 KMT2A (0.64) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL20356918 0.86 KMT2A (0.64) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL9088492 0.83 TACR1 (0.64) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL9088495 0.83 TACR1 (0.64) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL1921333 0.82 NPC1 (0.62) KMT2AMEN1HCRTR1NPBWR1MCHR1

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
US-7189724-B2 Quinoxaline derivatives having antiviral activity VALEANT RESEARCH AND DEVELOPMENT (US) 2007-03-13 US disclosed
US-7189724-B2 Quinoxaline derivatives having antiviral activity VALEANT RESEARCH AND DEVELOPMENT (US) 2007-03-13 US disclosed