SCHEMBL6939980

SCHEMBL6939980

CCC(C(C)=O)n1ncn(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)c1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.73
KDM4E B2RXH2 4/20 0.73
GAA P10253 3/20 0.73
LMNA P02545 2/20 0.73
ALDH1A1 P00352 2/20 0.73
HTT P42858 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
DGAT1 O75907 6/20 0.49
PKM P14618 1/20 0.39
OPRD1 P41143 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
ME2 P23368 5/20 0.36
ME1 P48163 5/20 0.36
ME3 Q16798 5/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL20639830 0.90 DGAT1 (0.60) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL6947268 0.88 MAPT (0.69) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL6944928 0.88 MAPT (0.72) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL14765200 0.85 MAPT (0.80) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL6752299 0.84 MAPT (0.70) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL3111183 0.84 MAPT (1.00) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL3107523 0.84 MAPT (1.00) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL2543291 0.84 MAPT (1.00) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL9287329 0.84 MAPT (0.64) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL16249928 0.82 MAPT (0.78) MAPTKDM4EGAALMNAALDH1A1

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-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-1077975-A1 WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 2001-02-28 EP disclosed
WO-1999058529-A1 WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 1999-11-18 WO disclosed