SCHEMBL14565644

SCHEMBL14565644

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

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 1/20 0.72
ITGB2 P05107 7/20 0.67
ICAM1 P05362 7/20 0.67
ITGAL P20701 7/20 0.67
BBOX1 O75936 2/20 0.59
LNPEP Q9UIQ6 1/20 0.58
ALOX15 P16050 1/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA9 Q16790 1/20 0.57
ACE P12821 1/20 0.57

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
SCHEMBL14565643 0.89 KMT2A (0.60) ERAP2LNPEP
SCHEMBL14565642 0.88 ERAP2 (0.62) ERAP2ITGB2ICAM1ITGALBBOX1
SCHEMBL14565638 0.88 NAMPT (0.69) ERAP2ITGB2ICAM1ITGALBBOX1
SCHEMBL1232691 0.86 ERAP2 (0.77) ERAP2ITGB2ICAM1ITGALLNPEP
SCHEMBL1232689 0.86 ERAP2 (0.77) ERAP2ITGB2ICAM1ITGALLNPEP
SCHEMBL5259129 0.84 ITGB2 (0.78) ERAP2ITGB2ICAM1ITGALALOX15
SCHEMBL30616778 0.84 ITGB2 (0.78) ERAP2ITGB2ICAM1ITGALALOX15
SCHEMBL9466705 0.84 ITGB2 (0.78) ERAP2ITGB2ICAM1ITGALALOX15
SCHEMBL5191302 0.84 ITGB2 (0.78) ERAP2ITGB2ICAM1ITGALALOX15
SCHEMBL10518274 0.84 CCKBR (0.75) ERAP2ITGB2ICAM1ITGALBBOX1

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