SCHEMBL31048448

SCHEMBL31048448

[2H]C([2H])(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@]12CCC(=O)N1C[C@]([2H])(F)C2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.35
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL31048213 1.00 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL31552279 0.91 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL31048187 0.91 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL31048194 0.91 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL23043468 0.81 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL27211986 0.81 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL24858476 0.77 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL31552159 0.77 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL31724005 0.72 KRAS (0.38)
SCHEMBL31551859 0.72 KRAS (0.38)

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-2024178304-A1 KRAS MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-08-29 WO disclosed