SCHEMBL6957617

SCHEMBL6957617

O=C(Nc1ccc(Cl)cc1C(O)c1ccccc1Cl)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
PDK1 Q15118 5/20 0.44
PDK2 Q15119 5/20 0.44
PDK3 Q15120 5/20 0.44
PDK4 Q16654 5/20 0.44
FDFT1 P37268 3/20 0.43
LPAR1 Q92633 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
ANO1 Q5XXA6 1/20 0.37
NR3C2 P08235 1/20 0.37

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
SCHEMBL8564882 0.83 KDM4E (0.49) KDM4EFDFT1LPAR1ALDH1A1SMN1; SMN2
SCHEMBL8564876 0.83 KDM4E (0.49) KDM4EFDFT1LPAR1ALDH1A1SMN1; SMN2
SCHEMBL17661872 0.78 PDK1 (0.50) PDK1PDK2PDK3PDK4LPAR1
SCHEMBL6956611 0.78 FDFT1 (0.41) KDM4EFDFT1
SCHEMBL9727045 0.76 FDFT1 (0.43) KDM4EFDFT1LPAR1ALDH1A1MEN1
SCHEMBL4113798 0.76 GRIK1 (0.47) KDM4EALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL28091743 0.76 PDK1 (0.69) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL1139376 0.74 PDK1 (0.51) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL8799319 0.74 ADRB2 (0.44) FDFT1LPAR1ALDH1A1MEN1KMT2A
SCHEMBL4118333 0.74 LPAR1 (0.53) KDM4EPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567026-B1 4,1-Benzoxazepin derivatives as squalene synthase inhibitors and their use in the treatment of hypercholesteremia and as fungicides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-26 EP disclosed
US-5885979-A SQUALENE SYNTHETASE INHIBITOR TREATING OR PREVENTING HYPERLIPIDEMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-23 US disclosed
US-5726306-A INHIBITORS OF SQUALENE SYNTHETASE AND FUNGAL GROWTH; USEFUL IN TREATING AND PREVENTING HYPERLIPIDEMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-10 US disclosed
EP-0567026-A1 4,1-Benzoxazepin derivatives as squalene synthase inhibitors and their use in the treatment of hypercholesteremia and as fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 EP disclosed