SCHEMBL2013556

SCHEMBL2013556

O=C(O)c1ncccc1NCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
AGER Q15109 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.45
MYC P01106 1/20 0.42
KMT2A Q03164 1/20 0.41
SCD O00767 2/20 0.40
ASPH Q12797 2/20 0.39
KDM8 Q8N371 2/20 0.39
METAP2 P50579 2/20 0.39
DHODH Q02127 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL2008273 0.84 L3MBTL1 (0.49) KDM4EALDH1A1L3MBTL1KMT2ASCD
SCHEMBL13978034 0.79 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL4755263 0.75 RRM2 (0.47) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL495687 0.75 DHODH (0.54) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL8487866 0.75 KDM4E (0.46) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL25466110 0.75 KDM6B (0.52) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL1467625 0.74 MAOA (0.54) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL5515567 0.74 KDM4E (0.47) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL6112484 0.73 ALDH1A1 (0.57) KDM4EALDH1A1L3MBTL1ALOX15CYP1A2
SCHEMBL31056504 0.73 ALDH1A1 (0.57) KDM4EALDH1A1L3MBTL1ALOX15CYP1A2

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