SCHEMBL7928023

SCHEMBL7928023

Bc1c(NC(=O)C(C)(C)C)cccc1OC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALOX12 P18054 1/20 0.57
PDK1 Q15118 1/20 0.55
PDK2 Q15119 1/20 0.55
PDK3 Q15120 1/20 0.55
PDK4 Q16654 1/20 0.55
ALDH1A1 P00352 1/20 0.48
CETP P11597 1/20 0.47
GAA P10253 3/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.43
LPAR1 Q92633 1/20 0.43

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
SCHEMBL1030263 0.85 LMNA (0.74) LMNAKDM4EALOX12PDK1PDK2
SCHEMBL18021884 0.83 LMNA (0.58) LMNAKDM4EALOX12PDK1PDK2
SCHEMBL8140708 0.81 KDM4E (0.57) LMNAKDM4EALOX12PDK1PDK2
SCHEMBL10046356 0.81 KDM4E (0.57) LMNAKDM4EALOX12PDK1PDK2
SCHEMBL1983314 0.81 KDM4E (0.57) LMNAKDM4EALOX12PDK1PDK2
SCHEMBL8806924 0.80 CA12 (0.59) LMNAKDM4EALOX12PDK1PDK2
SCHEMBL9872617 0.80 KDM4E (0.56) LMNAKDM4EALOX12PDK1PDK2
SCHEMBL23888203 0.79 LMNA (0.55) LMNAKDM4EALOX12PDK1PDK2
SCHEMBL4171512 0.79 LMNA (0.55) LMNAKDM4EALOX12PDK1PDK2
SCHEMBL4722310 0.79 LMNA (0.55) LMNAKDM4EALOX12PDK1PDK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010033444-A1 CRYSTALLINE FORMS OF A 2-THIAZOLYL- 4-QUINOLINYL-OXY DERIVATIVE, A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 WO disclosed