SCHEMBL29908495

SCHEMBL29908495

CC(C)(C)[Si](OCC1COc2c(I)ccnc2N1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.36
CYP3A4 P08684 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL29908414 0.83 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL15209214 0.77 SMYD2 (0.43) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL16043809 0.77 SMYD2 (0.43) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL28857808 0.72
SCHEMBL20678196 0.71 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL22555041 0.69 CHRNB2 (0.41)
SCHEMBL15209526 0.68 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL9886817 0.68 MEN1 (0.47) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL20500291 0.68 MEN1 (0.47) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL7203588 0.68 MEN1 (0.47) 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
CN-115028649-A Tricyclic compound, pharmaceutical composition containing same and use thereof 四川科伦博泰生物医药股份有限公司 2022-09-09 CN disclosed