SCHEMBL29149366

SCHEMBL29149366

O=[N+]([O-])c1cc(Oc2cccc(C(F)(F)F)c2)c(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.55
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TTR P02766 1/20 0.44
PPOX P50336 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SERPINE1 P05121 2/20 0.43
HSPB1 P04792 1/20 0.43
EPAS1 Q99814 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MASP2 O00187 1/20 0.40
F2 P00734 1/20 0.40
P2RY1 P47900 1/20 0.40

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
SCHEMBL31009328 0.88 LMNA (0.47) PTGESMAPTMEN1KMT2ATTR
SCHEMBL24749622 0.88 LMNA (0.47) PTGESMAPTMEN1KMT2ATTR
SCHEMBL31009354 0.84 PTGES (0.54) PTGESMAPTMEN1KMT2ATTR
SCHEMBL13881915 0.82 LMNA (0.55) MAPTMEN1KMT2ATTRPPOX
SCHEMBL1340465 0.82 POLB (0.56) PTGESMAPTMEN1KMT2ATTR
SCHEMBL6748915 0.78 MAPT (0.47) PTGESMAPTMEN1KMT2ATTR
SCHEMBL4607970 0.78 MAPT (0.47) PTGESMAPTMEN1KMT2ATTR
SCHEMBL4348623 0.77 MAPT (0.51) PTGESMAPTMEN1KMT2ATTR
SCHEMBL13220963 0.76 MAPT (0.62) MAPTMEN1KMT2ATTRPPOX
SCHEMBL11183119 0.76 KDM4E (0.48) PTGESMAPTMEN1KMT2ATTR

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
CN-117500786-A TEAD inhibitors 奥赖恩公司 2024-02-02 CN disclosed