SCHEMBL6973335

SCHEMBL6973335

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 1/20 0.47
▸ CTNNB1 P35222 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ CA9 Q16790 3/20 0.45
▸ HTR2A P28223 1/20 0.44
▸ MGLL Q99685 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ CA12 O43570 2/20 0.42
▸ SLC1A3 P43003 1/20 0.42
▸ SLC1A2 P43004 1/20 0.42
▸ SLC1A1 P43005 1/20 0.42
▸ HGFAC Q04756 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ PTPN7 P35236 1/20 0.40
▸ PTPN12 Q05209 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
SCHEMBL6973340 1.00 BCL9 (0.47) BCL9CTNNB1KMT2APKMGAA
SCHEMBL28323255 0.82 BCL9 (0.51) BCL9CTNNB1KMT2APKMGAA
SCHEMBL8809981 0.82 RAB9A (0.49) CA1CA2CA9HTR2AALDH1A1
SCHEMBL9068344 0.81 BCL9 (0.50) BCL9CTNNB1KMT2APKMGAA
SCHEMBL7787944 0.81 BCL9 (0.57) BCL9CTNNB1KMT2APKMGAA
SCHEMBL10335399 0.80 BCL9 (0.49) BCL9CTNNB1KMT2APKMGAA
SCHEMBL6707349 0.80 BCL9 (0.49) BCL9CTNNB1KMT2APKMGAA
SCHEMBL11796565 0.80 BCL9 (0.49) BCL9CTNNB1KMT2APKMGAA
SCHEMBL11221520 0.79 BCL9 (0.51) BCL9CTNNB1KMT2APKMGAA
SCHEMBL11221524 0.79 BCL9 (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296678-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY Bristol-Myers Squibb Pharma Company (US) 2003-04-02 — — EP disclosed
WO-2001098294-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 — — WO disclosed
EP-1140203-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Du Pont Pharmaceuticals Company (US) 2001-10-10 — — EP disclosed
WO-2000035488-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 — — WO disclosed
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