SCHEMBL8931744

SCHEMBL8931744

CCC(C(=O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(c4ccc(OC)c(OC)c4)CC3)nc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.48
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HIF1A Q16665 3/20 0.39
MCHR1 Q99705 6/20 0.37
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 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
Hydrochloric Acid SCHEMBL8931688 0.99 DGAT1 (0.47) DGAT1MAPTPOLBCYP3A4LMNA
SCHEMBL8931650 0.90 DGAT1 (0.51) DGAT1MAPTCYP3A4SMN1; SMN2KDM4E
SCHEMBL8931699 0.90 DGAT1 (0.41) DGAT1MAPTPOLBCYP3A4ALDH1A1
SCHEMBL8931730 0.90 MAPT (0.54) DGAT1MAPTCYP3A4LMNAGAA
SCHEMBL8931682 0.89 DGAT1 (0.48) DGAT1MAPTCYP3A4LMNAGAA
SCHEMBL8931667 0.88 DGAT1 (0.47) DGAT1MAPTPOLBCYP3A4LMNA
SCHEMBL8927422 0.87 DGAT1 (0.47) DGAT1MAPTCYP3A4LMNAGAA
SCHEMBL8931691 0.87 DGAT1 (0.53) DGAT1MAPTCYP3A4LMNAGAA
SCHEMBL8927419 0.87 DGAT1 (0.47) DGAT1MAPTCYP3A4LMNAGAA
SCHEMBL8931698 0.87 DGAT1 (0.56) DGAT1MAPTCYP3A4LMNAGAA

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