SCHEMBL2008455

SCHEMBL2008455

COC(=O)C(C(=O)c1ncccc1SCc1ccc(OC)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
RXFP1 Q9HBX9 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 2/20 0.36
OPRK1 P41145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL783872 0.84 RXRA (0.44) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL2008457 0.81 TP53 (0.37) GAARXFP1KDM4EMEN1KMT2A
SCHEMBL2009099 0.78 NFE2L2 (0.42) GAAALDH1A1NFE2L2TRPM8
SCHEMBL783874 0.77 TLR7 (0.42) ALDH1A1NFE2L2TRPM8
SCHEMBL2014297 0.75 L3MBTL1 (0.58) RXFP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2012467 0.74 SCD (0.45) KDM4EKMT2APOLBNFE2L2
SCHEMBL2010909 0.74 FFAR1 (0.50) GAARXFP1KDM4EALDH1A1MEN1
SCHEMBL12631173 0.74 SCD (0.45) KDM4EKMT2APOLBNFE2L2
SCHEMBL11875017 0.73 TP53 (0.47) RXFP1KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL11876582 0.72 BRD4 (0.46) RXFP1KDM4EALDH1A1MEN1KMT2A

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