SCHEMBL8931682

SCHEMBL8931682

CCC(C(=O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(c4ccc(OC)cn4)CC3)nc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.48
MAPT P10636 2/20 0.48
CYP3A4 P08684 5/20 0.42
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SOD1 P00441 1/20 0.38
DRD4 P21917 1/20 0.38
MCHR1 Q99705 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
RAB9A P51151 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
SCHEMBL8931707 0.96 MAPT (0.54) DGAT1MAPTCYP3A4KMT2AMEN1
SCHEMBL8931730 0.96 MAPT (0.54) DGAT1MAPTCYP3A4KMT2AMEN1
SCHEMBL8927419 0.94 DGAT1 (0.47) DGAT1MAPTCYP3A4KMT2AMEN1
SCHEMBL8931650 0.91 DGAT1 (0.51) DGAT1MAPTCYP3A4KDM4EALDH1A1
SCHEMBL8927422 0.90 DGAT1 (0.47) DGAT1MAPTCYP3A4KMT2AGAA
SCHEMBL8931673 0.90 MAPT (0.52) DGAT1MAPTCYP3A4KMT2AMEN1
SCHEMBL8931744 0.89 DGAT1 (0.48) DGAT1MAPTCYP3A4GAAKDM4E
SCHEMBL8931691 0.88 DGAT1 (0.53) DGAT1MAPTCYP3A4KMT2AGAA
SCHEMBL7878336 0.88 DGAT1 (0.53) DGAT1MAPTCYP3A4GAAKDM4E
SCHEMBL8931121 0.88 DGAT1 (0.53) DGAT1MAPTKMT2AMEN1GAA

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