SCHEMBL7540609

SCHEMBL7540609

CC(C)CCCOc1ccc(N2CCN(c3ccc(C(=O)n4n[n+]([O-])c5ccccc54)cc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
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
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 6/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
SLC6A7 Q99884 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL7339235 0.89 MGAM (0.50) MEN1KMT2AMGAMAMY1AGAA
SCHEMBL7333282 0.88 THRA (0.43) MGAMAMY1AGAASIMGAM2
SCHEMBL7338897 0.88 THRA (0.52) MEN1KMT2AMGAMAMY1AGAA
SCHEMBL7398867 0.88 THRA (0.43) MGAMAMY1AGAASIMGAM2
SCHEMBL7333016 0.88 THRA (0.52) MEN1KMT2AMGAMAMY1AGAA
SCHEMBL7289899 0.84 MGAM (0.39) MEN1KMT2AMGAMAMY1AGAA
SCHEMBL7338833 0.81 THRA (0.45) MEN1KMT2AMGAMAMY1AGAA
SCHEMBL7340310 0.81 KMT2A (0.44) MEN1KMT2AMGAMAMY1AGAA
SCHEMBL7336727 0.81 THRA (0.47) MEN1KMT2AMGAMAMY1AGAA
SCHEMBL7331286 0.81 THRA (0.47) MEN1KMT2AMGAMAMY1AGAA

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