SCHEMBL7340779

SCHEMBL7340779

CCCCCCOc1ccc(-c2noc(-c3ccc(C(=O)n4n[n+]([O-])c5ccccc54)cc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
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
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 1/20 0.44
ACACB O00763 1/20 0.43
RARB P10826 3/20 0.41
S1PR5 Q9H228 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CXCR1 P25024 2/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL7281457 0.89 GAA (0.53) MAPTHTTMGAMAMY1AGAA
SCHEMBL7293050 0.89 GAA (0.53) MAPTHTTMGAMAMY1AGAA
SCHEMBL7396410 0.89 GAA (0.50) MAPTHTTMGAMAMY1AGAA
SCHEMBL7332812 0.89 GAA (0.50) MAPTHTTMGAMAMY1AGAA
SCHEMBL7282914 0.88 MGAM (0.54) MAPTHTTMGAMAMY1AGAA
SCHEMBL7334176 0.86 MGAM (0.56) MAPTHTTMGAMAMY1AGAA
SCHEMBL7331332 0.86 SMPD1 (0.46) MGAMAMY1AGAASIMGAM2
SCHEMBL7332968 0.86 SMPD1 (0.46) MGAMAMY1AGAASIMGAM2
SCHEMBL7340314 0.85 GAA (0.46) MAPTHTTMGAMAMY1AGAA
SCHEMBL7338433 0.84 MAPT (0.46) MAPTMGAMAMY1AGAASI

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