SCHEMBL24059833

SCHEMBL24059833

[N-]=[N+]=NCCc1ccc(O[C@@H]2OC(COCc3ccccc3)[C@H](OC(=O)c3ccccc3)C(O)[C@@H]2OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.47
▸ LGALS3 P17931 2/20 0.41
▸ MAOB P27338 1/20 0.39
▸ GJB2 P29033 1/20 0.38
▸ TACR2 P21452 2/20 0.38
▸ PTPN1 P18031 9/20 0.37
▸ PTPN2 P17706 6/20 0.36
▸ PTPN6 P29350 6/20 0.36
▸ PTPN11 Q06124 6/20 0.36
▸ CDC25B P30305 6/20 0.36
▸ SSTR4 P31391 1/20 0.35

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
SCHEMBL18394464 1.00 NT5E (0.47) NT5ELGALS3MAOBGJB2TACR2
SCHEMBL22013736 1.00 NT5E (0.47) NT5ELGALS3MAOBGJB2TACR2
SCHEMBL17087715 0.87 LGALS3 (0.39) NT5ELGALS3MAOBGJB2PTPN1
SCHEMBL18412650 0.87 LGALS3 (0.41) NT5ELGALS3GJB2PTPN1PTPN2
SCHEMBL18394344 0.87 LGALS3 (0.41) NT5ELGALS3GJB2PTPN1PTPN2
SCHEMBL20243568 0.87 LGALS3 (0.41) NT5ELGALS3GJB2PTPN1PTPN2
SCHEMBL18412635 0.85 LGALS3 (0.38) NT5ELGALS3GJB2TACR2PTPN1
SCHEMBL22013737 0.84 FGF2 (0.43) NT5ELGALS3GJB2PTPN1PTPN2
SCHEMBL19891479 0.82 NT5E (0.54) NT5EMAOBGJB2TACR2PTPN1
SCHEMBL19891476 0.82 NT5E (0.54) NT5EMAOBGJB2TACR2PTPN1

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
EP-3915999-A1 CARBOHYDRATE LIGANDS THAT BIND TO IGM ANTIBODIES AGAINST MYELIN-ASSOCIATED GLYCOPROTEIN Universität Basel (CH) 2021-12-01 — — EP disclosed
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