SCHEMBL8931730

SCHEMBL8931730

CCC(C(=O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)nc2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
DGAT1 O75907 3/20 0.51
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
SOD1 P00441 1/20 0.44
CYP3A4 P08684 2/20 0.43
HTT P42858 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL8931682 0.96 DGAT1 (0.48) MAPTDGAT1KMT2AMEN1SOD1
SCHEMBL8931707 0.95 MAPT (0.54) MAPTDGAT1KMT2AMEN1SOD1
SCHEMBL8931673 0.94 MAPT (0.52) MAPTDGAT1KMT2AMEN1SOD1
SCHEMBL8931650 0.92 DGAT1 (0.51) MAPTDGAT1CYP3A4ALDH1A1KDM4E
SCHEMBL8927419 0.92 DGAT1 (0.47) MAPTDGAT1KMT2AMEN1SOD1
SCHEMBL9284187 0.91 MAPT (0.55) MAPTDGAT1KMT2AMEN1SOD1
SCHEMBL8931691 0.91 DGAT1 (0.53) MAPTDGAT1KMT2ACYP3A4HTT
SCHEMBL8927569 0.90 DGAT1 (0.53) MAPTDGAT1CYP3A4HTTALDH1A1
SCHEMBL8931744 0.90 DGAT1 (0.48) MAPTDGAT1CYP3A4HTTALDH1A1
SCHEMBL8927422 0.89 DGAT1 (0.47) MAPTDGAT1KMT2ACYP3A4HTT

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