SCHEMBL31424565

SCHEMBL31424565

O=Cc1ccccc1C#CC(O)(c1cccs1)c1cccs1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 4/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TRIM24 O15164 1/20 0.33
▸ TRIM33 Q9UPN9 1/20 0.33
▸ CYP2A6 P11509 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
SCHEMBL9527225 0.73 LMNA (0.41) ERN1MEN1LMNATHRBBLM
SCHEMBL15896161 0.72 ERN1 (0.47) ERN1MEN1LMNATHRBBLM
SCHEMBL30864329 0.72 ERN1 (0.47) ERN1MEN1LMNATHRBBLM
SCHEMBL15427894 0.70 LMNA (0.44) ERN1MEN1LMNATHRBBLM
SCHEMBL15427902 0.70 LMNA (0.44) ERN1MEN1LMNATHRBBLM
SCHEMBL9547950 0.65 CHRM3 (0.39) CHRM2CHRM3
SCHEMBL15675346 0.65 KMT2A (0.39) CHRM2CHRM3MEN1LMNATHRB
SCHEMBL15534952 0.64 KIF11 (0.41) CHRM2CHRM3MEN1LMNAKMT2A
SCHEMBL6873939 0.63 CHRM3 (0.37) CHRM2CHRM3MEN1LMNAKMT2A
SCHEMBL31587369 0.63 MEN1 (0.50) ERN1MEN1LMNATHRBBLM

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-119431447-A Isobenzofuran aggregation-induced emission molecule containing phosphine oxide structure and synthesis method thereof 宝鸡文理学院 2025-02-14 — — CN disclosed
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