SCHEMBL8931713

SCHEMBL8931713

CCC(C(=O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(c4ccccc4)CC3)cc2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.64
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
HTR1A P08908 3/20 0.41
HTR7 P34969 1/20 0.40
GFER P55789 1/20 0.40
ATM Q13315 1/20 0.40
CCR1 P32246 1/20 0.39
TP53 P04637 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) DGAT1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL9287329 0.92 MAPT (0.64) DGAT1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8931655 0.90 DGAT1 (0.60) DGAT1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8931114 0.90 DGAT1 (0.64) DGAT1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8931747 0.89 DGAT1 (0.58) DGAT1MAPTALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3030510 0.88 DGAT1 (0.57) DGAT1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8931115 0.87 DGAT1 (0.63) DGAT1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8817169 0.86 DGAT1 (0.56) DGAT1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8927562 0.86 DGAT1 (0.54) DGAT1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8758342 0.85 DGAT1 (0.61) DGAT1MAPTALDH1A1LMNASMN1; 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-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