SCHEMBL2012467

SCHEMBL2012467

COC(=O)C(C(=O)c1ncccc1NCC(F)(F)F)c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.45
NFE2L2 Q16236 1/20 0.38
P2RY1 P47900 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
DHODH Q02127 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL12631173 0.89 SCD (0.45) SCDNFE2L2P2RY1SLC22A12KDM4E
SCHEMBL2009099 0.84 NFE2L2 (0.42) SCDNFE2L2P2RY1SLC22A12SMN1; SMN2
SCHEMBL783874 0.83 TLR7 (0.42) SCDNFE2L2P2RY1SLC22A12SMN1; SMN2
SCHEMBL12631176 0.82 KDM4E (0.46) SCDNFE2L2P2RY1KDM4EHPGD
SCHEMBL12631560 0.81 SCD (0.41) SCDNFE2L2P2RY1SLC22A12KDM4E
SCHEMBL12631556 0.81 SCD (0.36) SCDNFE2L2P2RY1SLC22A12KDM4E
SCHEMBL2012473 0.81 BRD4 (0.36) SCDKDM4ESMN1; SMN2
SCHEMBL783872 0.76 RXRA (0.44) NFE2L2POLBKMT2A
SCHEMBL2008273 0.75 L3MBTL1 (0.49) SCDKDM4EPOLBKMT2A
SCHEMBL2008455 0.74 GAA (0.41) NFE2L2KDM4EPOLBKMT2A

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