SCHEMBL6944234

SCHEMBL6944234

C[C@H](N)[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)c1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.70
KDM4E B2RXH2 3/20 0.70
ALDH1A1 P00352 3/20 0.70
LMNA P02545 3/20 0.70
GAA P10253 3/20 0.70
HTT P42858 2/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
DGAT1 O75907 6/20 0.47
PKM P14618 1/20 0.44
ROCK2 O75116 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
JAK2 O60674 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LCK P06239 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL6939775 1.00 MAPT (0.70) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL8445710 1.00 MAPT (0.70) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL23355908 0.90 MAPT (0.73) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL23355364 0.90 MAPT (0.73) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL6752606 0.89 MAPT (0.72) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL6748764 0.89 MAPT (0.72) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL6752323 0.89 MAPT (0.72) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL6748762 0.89 MAPT (0.72) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL8196645 0.89 MAPT (0.72) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL9665148 0.87 MAPT (0.77) MAPTKDM4EALDH1A1LMNAGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077975-B1 WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS JANSSEN PHARMACEUTICA NV (BE) 2003-04-23 EP disclosed
US-6448244-B1 BROAD-SPECTRUM ANTIFUNGALS, AGAINST WHICH THERE IS NO EXISTING RESISTANCE AND WHICH CAN BE ADMINISTERED INTRAVENOUSLY OR TRANSUNGUALLY JANSSEN PHARMACEUTICA N.V. (BE) 2002-09-10 US disclosed
EP-1077976-B1 WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS JANSSEN PHARMACEUTICA NV (BE) 2002-08-07 EP disclosed
US-6384030-B1 COMPOUNDS AS FUNGICIDES JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-07 US disclosed
EP-1077976-A1 WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 2001-02-28 EP disclosed
WO-1999058530-A1 WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 1999-11-18 WO disclosed
EP-0957101-A1 Water soluble azoles as broad-spectrum antifungals JANSSEN PHARMACEUTICA N.V. (BE) 1999-11-17 EP disclosed