SCHEMBL7340310

SCHEMBL7340310

COCCCCCCCCOc1ccc(N2CCN(c3ccc(C(=O)n4n[n+]([O-])c5ccccc54)cn3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HRH3 Q9Y5N1 7/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
ME2 P23368 1/20 0.38
ME1 P48163 1/20 0.38
ME3 Q16798 1/20 0.38
PLA2G2A P14555 3/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MGAM O43451 1/20 0.36
AMY1A P0DUB6 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 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
SCHEMBL7331286 0.93 THRA (0.47) KMT2ANPC1RAB9AHRH3THRA
SCHEMBL7336727 0.93 THRA (0.47) KMT2ANPC1RAB9AHRH3THRA
SCHEMBL7398867 0.92 THRA (0.43) HRH3THRATHRBPLA2G2AMAPT
SCHEMBL7333282 0.92 THRA (0.43) HRH3THRATHRBPLA2G2AMAPT
SCHEMBL7338897 0.85 THRA (0.52) KMT2AHRH3THRATHRBMEN1
SCHEMBL7333016 0.85 THRA (0.52) KMT2AHRH3THRATHRBMEN1
SCHEMBL7339235 0.84 MGAM (0.50) KMT2AHRH3THRATHRBMEN1
SCHEMBL27482234 0.82 MGAM (0.58) KMT2ANPC1RAB9AHRH3THRA
SCHEMBL7334129 0.82 GAA (0.46) KMT2AHRH3MEN1MAPTHPGD
SCHEMBL7334813 0.82 GAA (0.46) KMT2AHRH3MEN1MAPTHPGD

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