SCHEMBL29957339

SCHEMBL29957339

CC(C)(C)[Si](C)(C)n1cc(B(O)O)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR3 P46089 1/20 0.31
IMPDH2 P12268 1/20 0.30
HTT P42858 1/20 0.30
POLB P06746 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
SCHEMBL3450325 1.00 MAPT (0.32) MAPTALDH1A1KDM4ENPC1CYP1A2
SCHEMBL109642 0.79
SCHEMBL4142457 0.79 MAPT (0.34) MAPTALDH1A1SMN1; SMN2
SCHEMBL1752166 0.77 GPR3 (0.32) MAPTALDH1A1KDM4ENPC1CYP1A2
SCHEMBL1751841 0.77 GPR3 (0.32) ALDH1A1KDM4ENPC1CYP1A2CYP3A4
SCHEMBL29957143 0.76 PRMT5 (0.32) NPC1
SCHEMBL4486828 0.76 PRMT5 (0.32) NPC1
SCHEMBL29953424 0.76 SSTR4 (0.30)
SCHEMBL15024911 0.75 SMN1; SMN2 (0.33) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL3450328 0.72 KDM4E (0.31) ALDH1A1KDM4EHPGDPOLB

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