SCHEMBL3661940

SCHEMBL3661940

CNC(=O)/C(=N/OC)c1ccccc1CONCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.51
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL2890312 0.81 HIF1A (0.51) HIF1AKDM4EKMT2AMEN1ALDH1A1
SCHEMBL2890313 0.81 HIF1A (0.51) HIF1AKDM4EKMT2AMEN1ALDH1A1
SCHEMBL8371507 0.81 HIF1A (0.67) HIF1AKDM4EALDH1A1MAPTHTT
SCHEMBL6460031 0.81 HIF1A (0.67) HIF1AKDM4EALDH1A1MAPTHTT
SCHEMBL6460025 0.81 HIF1A (0.67) HIF1AKDM4EALDH1A1MAPTHTT
SCHEMBL7588409 0.80 HIF1A (0.43) HIF1AKDM4EKMT2AMEN1TDP1
SCHEMBL23971953 0.78 HIF1A (0.47) HIF1AKMT2AALDH1A1RXFP1HDAC3
SCHEMBL123529 0.78 HIF1A (0.52) HIF1AKMT2AMEN1RXFP1
SCHEMBL828172 0.78 HIF1A (0.52) HIF1AKMT2AMEN1RXFP1
SCHEMBL483559 0.78 HIF1A (0.52) HIF1AKMT2AMEN1RXFP1

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
EP-2263463-A1 Agent combinations Bayer CropScience AG (DE) 2010-12-22 EP disclosed