SCHEMBL14565636

SCHEMBL14565636

O=C(N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.56
ITGB2 P05107 3/20 0.52
ICAM1 P05362 3/20 0.52
ITGAL P20701 3/20 0.52
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
ERAP2 Q6P179 2/20 0.49
HPGDS O60760 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
ERAP1 Q9NZ08 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL14565635 0.92 HPGDS (0.55) NAMPTITGB2ICAM1ITGALCTSL
SCHEMBL14565637 0.91 NAMPT (0.53) NAMPTCTSLCTSBCTSSCTSK
SCHEMBL14565638 0.90 NAMPT (0.69) NAMPTITGB2ICAM1ITGALERAP2
SCHEMBL14565640 0.82 NAMPT (0.68) NAMPTITGB2ICAM1ITGALERAP2
SCHEMBL14565639 0.81 NAMPT (0.66) NAMPTITGB2ICAM1ITGALERAP2
SCHEMBL10805861 0.77 ITGB2 (0.64) ITGB2ICAM1ITGALCTSLCTSB
SCHEMBL16617786 0.77 ITGB2 (0.64) ITGB2ICAM1ITGALCTSLCTSB
SCHEMBL14565644 0.77 ERAP2 (0.72) ITGB2ICAM1ITGALERAP2ALOX15
SCHEMBL14581324 0.76 CTSL (0.48) CTSLCTSBCTSSCTSKHPGDS
SCHEMBL14581323 0.76 CTSL (0.48) CTSLCTSBCTSSCTSKHPGDS

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