SCHEMBL30780911

SCHEMBL30780911

COc1ccc(N)cc1CO

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
GAA P10253 3/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 3/20 0.50
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
ALDH1A1 P00352 4/20 0.47
USP2 O75604 1/20 0.47
CYP19A1 P11511 3/20 0.46
TAAR1 Q96RJ0 2/20 0.46
ADRA1A P35348 1/20 0.46
LMNA P02545 1/20 0.46
NR4A1 P22736 1/20 0.44
IDO1 P14902 1/20 0.42

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
SCHEMBL216813 1.00 MAPT (0.55) MAPTGAATSHRMAPK1HTT
SCHEMBL27685404 0.85 MAPT (0.52) MAPTGAATSHRMAPK1HTT
SCHEMBL2596460 0.84 MAPT (0.71) MAPTGAATSHRMAPK1HTT
SCHEMBL31305215 0.84 MAPT (0.71) MAPTGAATSHRMAPK1HTT
SCHEMBL10021493 0.82 MAPT (0.53) MAPTGAATSHRMAPK1HTT
SCHEMBL11440396 0.82 MAPT (0.57) MAPTGAATSHRMAPK1HTT
SCHEMBL3003760 0.82 MAPT (0.57) MAPTGAATSHRMAPK1HTT
SCHEMBL5009932 0.81 MAPT (0.56) MAPTGAATSHRMAPK1HTT
SCHEMBL7598124 0.80 SMN1; SMN2 (0.48) MAPTGAATSHRMAPK1HTT
SCHEMBL10288226 0.80 MAPT (0.55) MAPTGAATSHRMAPK1HTT

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-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed