SCHEMBL7333802

SCHEMBL7333802

CCCCCCCOc1ccc(-c2ccc(C(=O)n3n[n+]([O-])c4ccccc43)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
AMY1A P0DUB6 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RARB P10826 3/20 0.43
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 4/20 0.40
APAF1 O14727 4/20 0.40
USP2 O75604 4/20 0.40
KMT2A Q03164 4/20 0.40
HSP90AA1 P07900 3/20 0.40
RAD52 P43351 3/20 0.40
UBE2N P61088 2/20 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
SCHEMBL7340282 0.96 MGAM (0.48) MGAMAMY1AGAASIMGAM2
SCHEMBL7281457 0.91 GAA (0.53) MGAMAMY1AGAASIMGAM2
SCHEMBL7293050 0.91 GAA (0.53) MGAMAMY1AGAASIMGAM2
SCHEMBL7282914 0.90 MGAM (0.54) MGAMAMY1AGAASIMGAM2
SCHEMBL7334176 0.88 MGAM (0.56) MGAMAMY1AGAASIMGAM2
SCHEMBL7340314 0.87 GAA (0.46) MGAMAMY1AGAASIMGAM2
SCHEMBL7337832 0.86 MGAM (0.50) MGAMAMY1AGAASIMGAM2
SCHEMBL7342303 0.86 MGAM (0.50) MGAMAMY1AGAASIMGAM2
SCHEMBL7332812 0.85 GAA (0.50) MGAMAMY1AGAASIMGAM2
SCHEMBL7396410 0.85 GAA (0.50) MGAMAMY1AGAASIMGAM2

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 5 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
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed