SCHEMBL1033145

SCHEMBL1033145

O=C(Nc1ccc(C(F)(F)F)cc1C1CC[N+]([O-])(Cc2ccc(-c3ncc(Cl)cn3)cc2)CC1)c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.38
EPAS1 Q99814 3/20 0.38
SRPK1 Q96SB4 2/20 0.38
KDR P35968 1/20 0.38
SRPK2 P78362 1/20 0.38
SRPK3 Q9UPE1 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
LIPE Q05469 1/20 0.36
F10 P00742 2/20 0.36
AAK1 Q2M2I8 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
GSK3A P49840 4/20 0.35
GSK3B P49841 4/20 0.35
CCR9 P51686 1/20 0.35
BRAF P15056 1/20 0.35
MAPT P10636 2/20 0.34
NTRK1 P04629 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 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
SCHEMBL2680858 0.93 MEN1 (0.38) KDM4CLIPEF10GSK3AGSK3B
SCHEMBL1034169 0.85 HIF1A (0.51) HIF1AEPAS1SRPK1KDRSRPK2
SCHEMBL15943296 0.85 MEN1 (0.38) KDM4CLIPEF10GSK3AGSK3B
SCHEMBL12153550 0.83 GSK3B (0.38) LIPEF10GSK3AGSK3BMAPT
SCHEMBL4401609 0.82 MAPK14 (0.38) F10GSK3AGSK3BMAPTALDH1A1
SCHEMBL4442622 0.79 HDAC4 (0.34) F10GSK3AGSK3BMAPTMEN1
SCHEMBL1031737 0.78 HIF1A (0.51) HIF1AEPAS1SRPK1KDRSRPK2
SCHEMBL2681885 0.78 F10 (0.44) HIF1AEPAS1F10BRAFMEN1
Hydrochloric Acid SCHEMBL2681741 0.78 F10 (0.43) HIF1AEPAS1F10BRAFMEN1
Acetic Acid SCHEMBL2680690 0.76 F10 (0.42) HIF1AEPAS1F10BRAFMEN1

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-2011003684-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-01-13 WO disclosed