SCHEMBL9564375

SCHEMBL9564375

FC(F)(F)Sc1ccc(-c2cc(NCC3CC3)no2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.40
EPHX2 P34913 1/20 0.40
TRPV1 Q8NER1 1/20 0.37
MLLT1 Q03111 1/20 0.37
IDH1 O75874 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PTGS2 P35354 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CRHR1 P34998 1/20 0.36
KIF11 P52732 1/20 0.35
NPC1 O15118 2/20 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
SCHEMBL9422419 0.77 HIF1A (0.49) HIF1AKDM4EMAPK1ATMEPHX2
SCHEMBL9564344 0.72 NPC1 (0.40) MAPK1ATMEPHX2PTGS2TDP1
SCHEMBL9564368 0.72 HIF1A (0.44) HIF1AKDM4EMAPK1ATMEPHX2
SCHEMBL9564402 0.70 VCP (0.49) HIF1AKDM4EATMMLLT1RAB9A
SCHEMBL9564390 0.69 KDM4E (0.41) HIF1AKDM4EMAPK1ATMMLLT1
SCHEMBL9564361 0.68 RAB9A (0.49) HIF1AEPHX2MAPTHPGDL3MBTL1
SCHEMBL13096156 0.67 HIF1A (0.50) HIF1AKDM4EMAPK1ATMEPHX2
SCHEMBL10874711 0.63 EPHX2 (0.63) HIF1AMAPK1EPHX2TRPV1HDAC4
SCHEMBL17652584 0.63 HIF1A (0.77) HIF1AKDM4EMAPK1ATMMLLT1
SCHEMBL15105013 0.63 EPHX2 (0.37) EPHX2TRPV1TDP1MAPTL3MBTL1

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-0563686-A1 Utilization of 3 substituted amino isoxazole derivatives against endoparasites, new 3 substituted amino isoxazols and process for their preparation BAYER AG (DE) 1993-10-06 EP disclosed