SCHEMBL8931698

SCHEMBL8931698

CCC(C(=O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(c4cccc(O)c4)CC3)nc2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.56
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 2/20 0.38
MCHR1 Q99705 3/20 0.38
DRD2 P14416 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK8 P45983 1/20 0.35
KCNH2 Q12809 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ME2 P23368 2/20 0.35
ME1 P48163 2/20 0.35
ME3 Q16798 2/20 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
SCHEMBL8931691 0.91 DGAT1 (0.53) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL8931650 0.91 DGAT1 (0.51) DGAT1MAPTKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8931711 0.91 DGAT1 (0.51) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL8931629 0.89 DGAT1 (0.51) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL8815089 0.89 DGAT1 (0.51) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL8931762 0.88 DGAT1 (0.55) DGAT1MAPTKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL8931760 0.87 DGAT1 (0.49) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL8814915 0.87 DGAT1 (0.51) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL8926249 0.87 DGAT1 (0.51) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL8927569 0.87 DGAT1 (0.53) DGAT1MAPTKDM4EALDH1A1LMNA

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 6 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 claimed
EP-0684821-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1995-12-06 EP claimed
WO-1994018978-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1994-09-01 WO claimed
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