SCHEMBL28250456

SCHEMBL28250456

O=COC(=O)C(O)C(O)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.48
▸ BCL9 O00512 1/20 0.46
▸ CTNNB1 P35222 1/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ PKM P14618 1/20 0.44
▸ HTR2A P28223 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ MGLL Q99685 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MYOC Q99972 1/20 0.40

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
SCHEMBL9299508 0.89 GAA (0.57) GAABCL9CTNNB1KMT2APKM
SCHEMBL9237410 0.79 GAA (0.57) GAABCL9CTNNB1KMT2APKM
SCHEMBL4752026 0.76 GAA (0.58) GAABCL9CTNNB1KMT2APKM
SCHEMBL14307582 0.76 GAA (0.58) GAABCL9CTNNB1KMT2APKM
SCHEMBL8211917 0.75 KMT2A (0.47) GAABCL9CTNNB1KMT2APKM
SCHEMBL4683792 0.74 GAA (0.60) GAABCL9CTNNB1KMT2APKM
SCHEMBL27368803 0.74 GAA (0.59) GAABCL9CTNNB1KMT2APKM
SCHEMBL10712258 0.74 BCL9 (0.53) GAABCL9CTNNB1KMT2APKM
SCHEMBL2191784 0.72 GAA (0.61) GAABCL9CTNNB1KMT2APKM
SCHEMBL22364390 0.72 GAA (0.61) GAABCL9CTNNB1KMT2APKM

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-108699063-A Synthesis process of luccotinib 正大天晴药业集团股份有限公司 2018-10-23 — — CN disclosed
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