SCHEMBL7340997

SCHEMBL7340997

O=C(c1ccc(-c2ccc(OCCCCCCCCn3ncnn3)cc2)cc1)n1n[n+]([O-])c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
AMY1A P0DUB6 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
HRH3 Q9Y5N1 7/20 0.37
HRH4 Q9H3N8 3/20 0.37
KCNH2 Q12809 2/20 0.37
HRH1 P35367 1/20 0.37
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 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
SCHEMBL7329322 0.88 MGAM (0.46) MGAMAMY1AGAASIMGAM2
SCHEMBL7340170 0.86 MAPT (0.53) MGAMAMY1AGAASIMGAM2
SCHEMBL7330666 0.86 MGAM (0.43) MGAMAMY1AGAASIMGAM2
SCHEMBL7281457 0.85 GAA (0.53) MGAMAMY1AGAASIMGAM2
SCHEMBL7293050 0.85 GAA (0.53) MGAMAMY1AGAASIMGAM2
SCHEMBL7334129 0.85 GAA (0.46) MGAMAMY1AGAASIMGAM2
SCHEMBL7334813 0.85 GAA (0.46) MGAMAMY1AGAASIMGAM2
SCHEMBL7282914 0.84 MGAM (0.54) MGAMAMY1AGAASIMGAM2
SCHEMBL7334176 0.83 MGAM (0.56) MGAMAMY1AGAASIMGAM2
SCHEMBL7339646 0.81 MGAM (0.45) 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 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