SCHEMBL8931114

SCHEMBL8931114

CCC(C(=O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(C(C)=O)CC3)cc2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.64
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
TP53 P04637 1/20 0.41
ENPP2 Q13822 3/20 0.41
HPGD P15428 1/20 0.40
AKR1C3 P42330 1/20 0.40
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL8927528 0.92 DGAT1 (0.64) DGAT1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL9287329 0.90 MAPT (0.64) DGAT1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL8931713 0.90 DGAT1 (0.64) DGAT1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL8931115 0.89 DGAT1 (0.63) DGAT1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL8758342 0.87 DGAT1 (0.61) DGAT1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL8931747 0.87 DGAT1 (0.58) DGAT1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL8931655 0.87 DGAT1 (0.60) DGAT1LMNAMAPTKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL3030510 0.86 DGAT1 (0.57) DGAT1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL13218950 0.85 DGAT1 (0.59) DGAT1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL8931762 0.84 DGAT1 (0.55) DGAT1LMNAMAPTKDM4ESMN1; SMN2

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-5637592-A TREATING HELICOBACTER INFECTIONS, SUCH AS GASTRITIS, STOMACH ULCERS, DUODENAL ULCERS AND GASTRIC CANCER JANSSEN PHARMACEUTICA N.V. (BE) 1997-06-10 US disclosed
EP-0770074-A1 ANTI-HELICOBACTER ACYL DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-02 EP disclosed
WO-1996001822-A1 ANTI-HELICOBACTER ACYL DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1996-01-25 WO disclosed