SCHEMBL29654597

SCHEMBL29654597

COC1(OC)CC(CS)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 2/20 0.33
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL29654635 0.87 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL25487136 0.82 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL29654714 0.80 SMYD2 (0.33) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL4127698 0.76 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL29583645 0.75 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL2912788 0.75 ABL1 (0.38) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL20446429 0.73 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL4121310 0.73 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL31163018 0.73 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL2912786 0.73 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2

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-2022133345-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-06-23 WO disclosed