SCHEMBL14565639

SCHEMBL14565639

COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.66
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
ITGB2 P05107 1/20 0.53
ICAM1 P05362 1/20 0.53
ITGAL P20701 1/20 0.53
HCRTR1 O43613 1/20 0.52
NPBWR1 P48145 1/20 0.52
MCHR1 Q99705 1/20 0.52
SCN9A Q15858 1/20 0.52
TYMS P04818 1/20 0.51
LNPEP Q9UIQ6 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
TACR1 P25103 3/20 0.50
ERAP2 Q6P179 1/20 0.50
POLB P06746 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
SCHEMBL14565638 0.91 NAMPT (0.69) NAMPTITGB2ICAM1ITGALSCN9A
SCHEMBL14565637 0.90 NAMPT (0.53) NAMPTMEN1KMT2AMAPTPOLB
SCHEMBL14565640 0.90 NAMPT (0.68) NAMPTMEN1KMT2AITGB2ICAM1
SCHEMBL14565643 0.89 KMT2A (0.60) MEN1KMT2AHCRTR1NPBWR1MCHR1
SCHEMBL14565641 0.85 MEN1 (0.52) MEN1KMT2AHCRTR1NPBWR1MCHR1
SCHEMBL14565649 0.84 KMT2A (0.55) MEN1KMT2AHCRTR1NPBWR1MCHR1
SCHEMBL14565636 0.81 NAMPT (0.56) NAMPTKMT2AITGB2ICAM1ITGAL
SCHEMBL14565635 0.80 HPGDS (0.55) NAMPTKMT2AITGB2ICAM1ITGAL
SCHEMBL17195975 0.80 NAMPT (1.00) NAMPTMEN1KMT2A
SCHEMBL22292158 0.79 KMT2A (0.64) MEN1KMT2AITGB2ICAM1ITGAL

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