SCHEMBL7338833

SCHEMBL7338833

CCCCCCOc1ccc(N2CCC(N3CCN(c4ccc(C(=O)n5n[n+]([O-])c6ccccc65)cc4)CC3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
MGAM O43451 1/20 0.43
AMY1A P0DUB6 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
PLA2G2A P14555 3/20 0.42
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HIF1A Q16665 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 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
SCHEMBL7333016 0.93 THRA (0.52) THRATHRBMGAMAMY1AGAA
SCHEMBL7338897 0.93 THRA (0.52) THRATHRBMGAMAMY1AGAA
SCHEMBL7339235 0.92 MGAM (0.50) THRATHRBMGAMAMY1AGAA
SCHEMBL7398867 0.86 THRA (0.43) THRATHRBMGAMAMY1AGAA
SCHEMBL7333282 0.86 THRA (0.43) THRATHRBMGAMAMY1AGAA
SCHEMBL7336727 0.85 THRA (0.47) THRATHRBMGAMAMY1AGAA
SCHEMBL7331286 0.85 THRA (0.47) THRATHRBMGAMAMY1AGAA
SCHEMBL7334870 0.84 THRA (0.45) THRATHRBMGAMAMY1AGAA
SCHEMBL7334815 0.83 THRA (0.45) THRATHRBMGAMAMY1AGAA
SCHEMBL7293050 0.83 GAA (0.53) 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