SCHEMBL6779800

SCHEMBL6779800

CN(C)NC(=O)c1noc(-c2cnccc2C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC22A12 Q96S37 1/20 0.38
S1PR1 P21453 2/20 0.38
DHODH Q02127 1/20 0.38
HDAC6 Q9UBN7 5/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC8 Q9BY41 2/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
PLAT P00750 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
SMPD1 P17405 1/20 0.35
S1PR3 Q99500 1/20 0.35
POLQ O75417 1/20 0.35
SCD O00767 1/20 0.35
SCD5 Q86SK9 1/20 0.35
DGAT2 Q96PD7 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
SCHEMBL6784970 0.86 HDAC4 (0.41) KDM4ETDP1SLC22A12S1PR1DHODH
SCHEMBL6781999 0.83 DHODH (0.46) KDM4ETDP1S1PR1DHODHHDAC6
SCHEMBL6780315 0.78 ALDH1A1 (0.42) KDM4ES1PR1DHODHPLATS1PR3
SCHEMBL14717695 0.75 GAA (0.41) ABL1PLAT
SCHEMBL14717699 0.75 GAA (0.41) ABL1PLAT
SCHEMBL15236975 0.74 S1PR1 (0.48) SLC22A12S1PR1HDAC6HDAC1HDAC8
SCHEMBL14717479 0.73 ITGA4 (0.44) NPC1POLB
SCHEMBL14717483 0.73 ITGA4 (0.44) NPC1POLB
SCHEMBL6782045 0.73 AKR1B1 (0.48) KDM4ETDP1S1PR1DHODHHDAC6
SCHEMBL6786662 0.72 HDAC4 (0.44) KDM4ETDP1SLC22A12S1PR1DHODH

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
US-6699853-B2 PROTECTING USEFUL PLANTS AGAINST THE UNDESIRABLE ACTION OF HARMFUL INSECTS, ACARIDS AND NEMATODES, HOECHST SCHERING AGREVO GMBH (DE) 2004-03-02 US disclosed