SCHEMBL7340500

SCHEMBL7340500

COCCCCCCCCOc1ccc(-c2nnc(-c3ccc(C(=O)n4n[n+]([O-])c5ccccc54)cc3)o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
MGAM O43451 2/20 0.43
AMY1A P0DUB6 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
ALDH1A1 P00352 6/20 0.39
NR1H4 Q96RI1 1/20 0.39
GUSB P08236 1/20 0.39
KDM4E B2RXH2 5/20 0.38
MAPT P10636 5/20 0.38
HSD17B10 Q99714 5/20 0.38
HPGD P15428 5/20 0.38
TP53 P04637 3/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALOX15 P16050 2/20 0.36

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
SCHEMBL7396410 0.93 GAA (0.50) GAAMGAMAMY1ASIMGAM2
SCHEMBL7332812 0.93 GAA (0.50) GAAMGAMAMY1ASIMGAM2
SCHEMBL7334129 0.92 GAA (0.46) GAAMGAMAMY1ASIMGAM2
SCHEMBL7334813 0.92 GAA (0.46) GAAMGAMAMY1ASIMGAM2
SCHEMBL7339508 0.89 GAA (0.47) GAAMGAMAMY1ASIMGAM2
SCHEMBL7329275 0.88 HDAC1 (0.45) GAAMGAMAMY1ASIMGAM2
SCHEMBL7329322 0.85 MGAM (0.46) GAAMGAMAMY1ASIMGAM2
SCHEMBL7281457 0.84 GAA (0.53) GAAMGAMAMY1ASIMGAM2
SCHEMBL7293050 0.84 GAA (0.53) GAAMGAMAMY1ASIMGAM2
SCHEMBL7333282 0.84 THRA (0.43) 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 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