SCHEMBL2012473

SCHEMBL2012473

COC(=O)C(C(=O)c1ncccc1NCC(F)(F)F)c1cc(F)c(F)c(F)c1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
METAP2 P50579 3/20 0.34
ACLY P53396 1/20 0.33
SCD O00767 4/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MKNK2 Q9HBH9 2/20 0.32
CTSA P10619 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MET P08581 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BDKRB1 P46663 1/20 0.30

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
SCHEMBL784497 0.82 ALDH1A1 (0.36) BRD4ACLYALDH1A1KDM4ECTSA
SCHEMBL2012467 0.81 SCD (0.45) SCDKDM4ESMN1; SMN2
SCHEMBL2008273 0.74 L3MBTL1 (0.49) BRD4METAP2ACLYSCDALDH1A1
SCHEMBL12631173 0.70 SCD (0.45) SCDKDM4ESMN1; SMN2
SCHEMBL2013556 0.68 KDM4E (0.46) METAP2SCDALDH1A1KDM4EL3MBTL1
SCHEMBL12631554 0.67 MAPT (0.42) ALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL12631561 0.66 KDM4E (0.39) ALDH1A1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL12631176 0.64 KDM4E (0.46) BRD4SCDALDH1A1KDM4EL3MBTL1
SCHEMBL2009099 0.64 NFE2L2 (0.42) SCDALDH1A1SMN1; SMN2
SCHEMBL783874 0.63 TLR7 (0.42) SCDALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011064188-A1 INSECTICIDAL METHODS USING NITROGEN-CONTAINING HETEROAROMATIC COMPOUNDS BASF SE (DE) 2011-06-03 WO disclosed