SCHEMBL9840744

SCHEMBL9840744

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 1/20 0.50
▸ CTNNB1 P35222 1/20 0.50
▸ KMT2A Q03164 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTR2A P28223 1/20 0.44
▸ HGFAC Q04756 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ MGLL Q99685 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PTPN7 P35236 1/20 0.40
▸ PTPN12 Q05209 1/20 0.40
▸ PTPN22 Q9Y2R2 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
SCHEMBL7275811 1.00 BCL9 (0.50) BCL9CTNNB1KMT2APKMGAA
SCHEMBL6707349 0.86 BCL9 (0.49) BCL9CTNNB1KMT2APKMGAA
SCHEMBL10335399 0.86 BCL9 (0.49) BCL9CTNNB1KMT2APKMGAA
SCHEMBL28323255 0.82 BCL9 (0.51) BCL9CTNNB1KMT2APKMGAA
SCHEMBL8740500 0.82 MMP2 (0.53) BCL9CTNNB1KMT2APKMGAA
SCHEMBL8350753 0.82 RAB9A (0.52) HTR2AALDH1A1
4,4'-Oxybis(Nitrobenzene) SCHEMBL9840949 0.82 KMT2A (0.51) BCL9CTNNB1KMT2AMAPTALDH1A1
SCHEMBL4423862 0.82 MMP2 (0.53) BCL9CTNNB1KMT2APKMGAA
4,4'-Oxybis(Nitrobenzene) SCHEMBL9840960 0.82 KMT2A (0.51) BCL9CTNNB1KMT2AMAPTALDH1A1
SCHEMBL2387943 0.82 MMP2 (0.53) BCL9CTNNB1KMT2APKMGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990614-A N-heterocyclic amides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-02-05 — — US disclosed
US-4918107-A HYDROXYPHENYLACETYL-L-ASPARAGINYL COMPOUNDS TSUMURA & CO. (JP) 1990-04-17 — — US disclosed
EP-0311517-A2 Amide compound having glutamate receptor inhibiting activity Takeda Chemical Industries, Ltd. (JP) 1989-04-12 — — EP disclosed
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