SCHEMBL29105316

SCHEMBL29105316

CC[n+]1c(C=Cc2ccc(O)c(OC)c2)sc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.69
▸ HTT P42858 4/20 0.69
▸ MEN1 O00255 4/20 0.69
▸ POLB P06746 4/20 0.69
▸ ALDH1A1 P00352 4/20 0.69
▸ PKM P14618 3/20 0.69
▸ L3MBTL1 Q9Y468 2/20 0.69
▸ OPRK1 P41145 1/20 0.69
▸ BLM P54132 1/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ INSR P06213 3/20 0.58
▸ APP P05067 5/20 0.50
▸ TTR P02766 1/20 0.48
▸ MAPT P10636 5/20 0.47
▸ THRB P10828 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MMP14 P50281 1/20 0.47
▸ NFE2L2 Q16236 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MAPK1 P28482 2/20 0.47

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
Bromide SCHEMBL17311241 0.99 KMT2A (0.68) KMT2AHTTMEN1POLBALDH1A1
SCHEMBL17325581 0.88 KMT2A (0.57) KMT2AHTTMEN1POLBALDH1A1
Bromide SCHEMBL17311237 0.87 KMT2A (0.56) KMT2AHTTMEN1POLBALDH1A1
SCHEMBL13005219 0.87 INSR (0.64) KMT2AHTTMEN1POLBALDH1A1
Bromide SCHEMBL17311238 0.84 INSR (0.57) KMT2AHTTMEN1POLBALDH1A1
SCHEMBL12880678 0.82 INSR (0.63) KMT2AHTTMEN1POLBALDH1A1
SCHEMBL12880679 0.81 INSR (0.62) KMT2AHTTMEN1POLBALDH1A1
SCHEMBL34468132 0.80 INSR (0.72) KMT2AHTTMEN1ALDH1A1PKM
Iodide SCHEMBL12470899 0.79 INSR (0.70) KMT2AHTTMEN1ALDH1A1PKM
SCHEMBL17322556 0.77 INSR (0.75) KMT2AHTTMEN1POLBALDH1A1

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-116768821-A Plant extract modified molecular probe and preparation method and application thereof 井冈山大学 2023-09-19 — — CN disclosed
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