SCHEMBL8745954

SCHEMBL8745954

CCNC(=O)OC(c1cncnc1)c1ccccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 4/20 0.38
TSHR P16473 4/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CNR2 P34972 2/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ACP3 P15309 1/20 0.34
MAPT P10636 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL8745915 0.85 CYP3A4 (0.39) KDM4EKMT2ACYP3A4TSHRHSD17B10
SCHEMBL8745950 0.84 CYP3A4 (0.39) KDM4EKMT2ACYP3A4TSHRHSD17B10
SCHEMBL8745946 0.81 KDM4E (0.39) KDM4EKMT2ACYP3A4TSHRHSD17B10
SCHEMBL8745923 0.81 ACP3 (0.37) KDM4EKMT2ACYP3A4TSHRHSD17B10
SCHEMBL9028568 0.81 SCN9A (0.37) KDM4EKMT2ACNR2MAPK1POLB
SCHEMBL8745904 0.81 RBP4 (0.37) KDM4EKMT2ACNR2HPGDSMN1; SMN2
SCHEMBL8328825 0.77 SSTR4 (0.38) KDM4EKMT2APOLBMAPT
SCHEMBL8745942 0.74 CYP3A4 (0.37) KDM4EKMT2ACYP3A4TSHRHSD17B10
SCHEMBL8330141 0.72 MAPT (0.34) KDM4EKMT2ACYP3A4TSHRHSD17B10
SCHEMBL9028891 0.72 LIMK1 (0.37) KDM4EKMT2ACNR2MAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758323-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1997-02-19 EP disclosed
WO-1995029898-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1995-11-09 WO disclosed