SCHEMBL7340314

SCHEMBL7340314

CCCCCCOc1ccc(-c2nccc(-c3ccc(C(=O)n4n[n+]([O-])c5ccccc54)cc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
AMY1A P0DUB6 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
MEN1 O00255 8/20 0.43
KMT2A Q03164 8/20 0.43
MAPT P10636 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
RARB P10826 3/20 0.41
APAF1 O14727 4/20 0.41
USP2 O75604 4/20 0.41
HSP90AA1 P07900 3/20 0.41
RAD52 P43351 3/20 0.41
UBE2N P61088 2/20 0.41
NTSR1 P30989 1/20 0.41
IDE P14735 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PSMD14 O00487 1/20 0.40

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
SCHEMBL7293050 0.90 GAA (0.53) GAAMGAMAMY1ASIMGAM2
SCHEMBL7281457 0.90 GAA (0.53) GAAMGAMAMY1ASIMGAM2
SCHEMBL7282914 0.89 MGAM (0.54) GAAMGAMAMY1ASIMGAM2
SCHEMBL7334176 0.87 MGAM (0.56) GAAMGAMAMY1ASIMGAM2
SCHEMBL7333802 0.87 MGAM (0.46) GAAMGAMAMY1ASIMGAM2
SCHEMBL7340779 0.85 MAPT (0.46) GAAMGAMAMY1ASIMGAM2
SCHEMBL7396410 0.84 GAA (0.50) GAAMGAMAMY1ASIMGAM2
SCHEMBL7337832 0.84 MGAM (0.50) GAAMGAMAMY1ASIMGAM2
SCHEMBL7342303 0.84 MGAM (0.50) GAAMGAMAMY1ASIMGAM2
SCHEMBL7332812 0.84 GAA (0.50) GAAMGAMAMY1ASIMGAM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed