SCHEMBL8931741

SCHEMBL8931741

CCC(C(=O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cn2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.52
MAPT P10636 3/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
DEGS1 O15121 2/20 0.38
ME2 P23368 3/20 0.37
ME1 P48163 3/20 0.37
ME3 Q16798 3/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2C P28335 1/20 0.37
CYP3A4 P08684 2/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL8931691 0.94 DGAT1 (0.53) DGAT1MAPTGAAKDM4EALDH1A1
SCHEMBL8931673 0.91 MAPT (0.52) DGAT1MAPTGAAKDM4EALDH1A1
SCHEMBL8931762 0.90 DGAT1 (0.55) DGAT1MAPTGAAKDM4EALDH1A1
SCHEMBL9287329 0.90 MAPT (0.64) DGAT1MAPTGAAKDM4EALDH1A1
SCHEMBL8931712 0.90 MAPT (0.54) DGAT1MAPTGAAKDM4EALDH1A1
SCHEMBL8927569 0.86 DGAT1 (0.53) DGAT1MAPTGAAKDM4EALDH1A1
SCHEMBL8931698 0.85 DGAT1 (0.56) DGAT1MAPTGAAKDM4EALDH1A1
SCHEMBL8815089 0.85 DGAT1 (0.51) DGAT1MAPTGAAKDM4EALDH1A1
SCHEMBL8931730 0.85 MAPT (0.54) DGAT1MAPTGAAKDM4EALDH1A1
SCHEMBL7878336 0.83 DGAT1 (0.53) DGAT1MAPTGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650411-A BACTERICIDES FOR HELICOBACTER DISEASES AND BACTERIA RESISTANCE JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-22 US disclosed
EP-0684821-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1995-12-06 EP disclosed
WO-1994018978-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1994-09-01 WO disclosed