SCHEMBL28388334

SCHEMBL28388334

CC(C)(C)[Si](OCC12CCC(CC1)CC2)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.37
CYP3A4 P08684 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BACE1 P56817 1/20 0.32
ABL1 P00519 1/20 0.30

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
SCHEMBL20570255 0.85 SMYD2 (0.41) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL22070547 0.82 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL22070652 0.79 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL28887797 0.79 CYP4A11 (0.39) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL27040007 0.77 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL661210 0.77 CYP3A4 (0.38) SMYD2CYP3A4HTTSMN1; SMN2BACE1
SCHEMBL663043 0.77 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2BACE1
SCHEMBL29239690 0.77 MAOA (0.38) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL2907725 0.77 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL16836641 0.77 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2ABL1

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-110914254-A Azole-substituted pyridine compound 大正制药株式会社 2020-03-24 CN disclosed