SCHEMBL28448945

SCHEMBL28448945

CCOC(=O)c1c(C)nc2cccc(OCCCNC(=O)C3CCCCC3)c2c1N

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ TP53 P04637 4/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL28451725 0.90 KMT2A (0.50) KMT2ATP53MAPTMEN1ALDH1A1
SCHEMBL10258937 0.88 KMT2A (0.53) KMT2ATP53MAPTMEN1NPC1
SCHEMBL28460812 0.84 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2
SCHEMBL621555 0.84 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL28448948 0.84 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2
SCHEMBL28454801 0.84 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2
SCHEMBL621365 0.83 KDM4E (0.40) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL618878 0.82 DCPS (0.45) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL28457013 0.81 TSHR (0.43) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL618949 0.81 KDM4E (0.40) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2

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-106107406-B Methods of improving the stability of sweetness enhancers and compositions comprising stable sweetness enhancers 弗门尼舍公司 2020-06-09 — — CN disclosed
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