SCHEMBL29843201

SCHEMBL29843201

C#Cc1c(F)c(F)c(COC(=O)[C@@H]2[C@@H](C=C(C)C#N)C2(C)C)c(CC)c1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 3/20 0.39
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADRA2A P08913 1/20 0.32
CNR1 P21554 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL29843222 0.90 TDP1 (0.50) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL29843158 0.90 LMNA (0.51) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL29911460 0.89 TDP1 (0.47) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL29843311 0.88 TDP1 (0.48) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL29843151 0.88 TDP1 (0.53) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL29843294 0.87 TDP1 (0.58) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL29843100 0.87 TDP1 (0.47) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL29843251 0.86 TDP1 (0.49) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL358493 0.85 TDP1 (0.51) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL358494 0.85 TDP1 (0.51) TDP1MEN1KMT2ALMNACYP1A2

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-109195944-B Ester compound and use thereof 大日本除虫菊株式会社 2022-06-14 CN disclosed