SCHEMBL8931712

SCHEMBL8931712

CCC(C(=O)c1ccc(Cl)cc1)n1ncn(-c2cnc(N3CCN(c4ccc(O)cc4)CC3)nc2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
GAA P10253 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
DGAT1 O75907 5/20 0.54
DEGS1 O15121 2/20 0.38
ME2 P23368 1/20 0.37
ME1 P48163 1/20 0.37
ME3 Q16798 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2C P28335 1/20 0.37
CA12 O43570 1/20 0.35
CA2 P00918 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
SCHEMBL9287329 0.92 MAPT (0.64) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL9284187 0.91 MAPT (0.55) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL8931691 0.90 DGAT1 (0.53) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL8931741 0.90 DGAT1 (0.52) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL8931762 0.87 DGAT1 (0.55) MAPTGAAKDM4EALDH1A1LMNA
Propanol SCHEMBL8926281 0.86 DGAT1 (0.46) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL8926249 0.84 DGAT1 (0.51) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL8931713 0.84 DGAT1 (0.64) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL8931715 0.83 DGAT1 (0.55) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL8927419 0.83 DGAT1 (0.47) MAPTGAAKDM4EALDH1A1LMNA

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