SCHEMBL29952886

SCHEMBL29952886

Cc1cccc2c(B(O)O)cn([Si](C(C)C)(C(C)C)C(C)C)c12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.33
FTO Q9C0B1 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
HCRTR1 O43613 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL15024911 0.76 SMN1; SMN2 (0.33) KMT2AALDH1A1
SCHEMBL15024961 0.66 PDGFRA (0.35)
SCHEMBL424495 0.64 SLC6A2 (0.45) ALKBH5FTOMEN1KMT2AALDH1A1
SCHEMBL29957024 0.63
SCHEMBL13881661 0.62 HTR2A (0.49) ALKBH5FTOCYP1A2CYP2A6MEN1
SCHEMBL4486828 0.62 PRMT5 (0.32) MEN1NPC1KMT2A
SCHEMBL29955277 0.61 CA2 (0.31)
SCHEMBL29954037 0.61
SCHEMBL29950871 0.61 CYP1A2 (0.62) CYP1A2CYP2A6ALDH1A1
SCHEMBL15369531 0.61 CYP1A2 (0.62) CYP1A2CYP2A6ALDH1A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed