SCHEMBL30152273

SCHEMBL30152273

O=[N+]([O-])c1ccc(/C=C/c2cccc(F)c2)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.65
FBP1 P09467 3/20 0.55
CYP19A1 P11511 1/20 0.55
MAPT P10636 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
MCL1 Q07820 1/20 0.48
PTK2B Q14289 1/20 0.48
VCP P55072 1/20 0.48
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3365440 0.83 CYP19A1 (0.73) NFE2L2FBP1CYP19A1MAPTRAB9A
SCHEMBL3365445 0.83 CYP19A1 (0.73) NFE2L2FBP1CYP19A1MAPTRAB9A
SCHEMBL20995875 0.80 NFE2L2 (1.00) NFE2L2
SCHEMBL20995879 0.80 NFE2L2 (1.00) NFE2L2
SCHEMBL12972517 0.78 CYP19A1 (0.49) NFE2L2FBP1CYP19A1MAPTRAB9A
SCHEMBL13092117 0.75 ALDH1A1 (0.49) CYP19A1MAPTRAB9AMEN1KMT2A
SCHEMBL11776992 0.75 CYP19A1 (0.69) NFE2L2FBP1CYP19A1MAPTRAB9A
SCHEMBL11776986 0.75 CYP19A1 (0.69) NFE2L2FBP1CYP19A1MAPTRAB9A
SCHEMBL24969525 0.74 NFE2L2 (0.75) NFE2L2CYP19A1
SCHEMBL15498134 0.74 NFE2L2 (0.89) NFE2L2FBP1CYP19A1MAPTRAB9A

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-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed