SCHEMBL8545277

SCHEMBL8545277

Cc1cccc2oc(N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)nc(=O)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
HPGD P15428 2/20 0.59
PKM P14618 1/20 0.59
HTT P42858 1/20 0.59
ITGB2 P05107 3/20 0.56
ICAM1 P05362 3/20 0.56
ITGAL P20701 3/20 0.56
MAPK1 P28482 2/20 0.55
HSD17B10 Q99714 1/20 0.55
POLB P06746 3/20 0.52
TP53 P04637 1/20 0.52
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.49
USP2 O75604 1/20 0.49
ACE P12821 3/20 0.48

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
SCHEMBL6499165 0.86 ITGB2 (0.56) MAPTHPGDPKMHTTITGB2
SCHEMBL8549802 0.80 MAPT (0.51) MAPTHPGDPKMHTTMAPK1
SCHEMBL27490972 0.78 ELANE (0.64) MAPTITGB2ICAM1ITGALMEN1
SCHEMBL6594113 0.78 ELANE (0.64) MAPTITGB2ICAM1ITGALMEN1
SCHEMBL6593941 0.75 ELANE (0.53) MAPTITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL27477556 0.75 ELANE (0.53) MAPTITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL30971002 0.73 ALOX15 (0.66) MAPTITGB2ICAM1ITGALPOLB
SCHEMBL8545278 0.73 ELANE (0.47) HSD17B10ALDH1A1LMNAUSP2
SCHEMBL8551382 0.73 ELANE (0.47) HSD17B10ALDH1A1LMNAUSP2
Acetyltryptophan SCHEMBL9603283 0.73 ITGB2 (0.76) MAPTITGB2ICAM1ITGALPOLB

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
EP-0828721-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 EP claimed
EP-0828721-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 EP disclosed