SCHEMBL8931691

SCHEMBL8931691

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
CYP3A4 P08684 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ME2 P23368 3/20 0.39
ME1 P48163 3/20 0.39
ME3 Q16798 3/20 0.39
MCHR1 Q99705 1/20 0.38
RAB9A P51151 2/20 0.38
DEGS1 O15121 1/20 0.37
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD4 P21917 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
SCHEMBL8931762 0.95 DGAT1 (0.55) DGAT1MAPTSMN1; SMN2GAAKDM4E
SCHEMBL8931741 0.94 DGAT1 (0.52) DGAT1MAPTSMN1; SMN2GAAKDM4E
SCHEMBL8927569 0.92 DGAT1 (0.53) DGAT1MAPTSMN1; SMN2GAAKDM4E
SCHEMBL9287329 0.91 MAPT (0.64) DGAT1MAPTSMN1; SMN2GAAKDM4E
SCHEMBL8931698 0.91 DGAT1 (0.56) DGAT1MAPTSMN1; SMN2GAAKDM4E
SCHEMBL8931730 0.91 MAPT (0.54) DGAT1MAPTSMN1; SMN2GAAKDM4E
SCHEMBL8931712 0.90 MAPT (0.54) DGAT1MAPTSMN1; SMN2GAAKDM4E
SCHEMBL7878336 0.90 DGAT1 (0.53) DGAT1MAPTSMN1; SMN2GAAKDM4E
SCHEMBL8931121 0.90 DGAT1 (0.53) DGAT1MAPTSMN1; SMN2GAAKDM4E
SCHEMBL8815089 0.89 DGAT1 (0.51) DGAT1MAPTSMN1; SMN2GAAKDM4E

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