SCHEMBL2564804

SCHEMBL2564804

CSc1nn(-c2ccc([N+](=O)[O-])cc2)c2cc(C(=O)N3CCNCC3)ccc12

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 20/20 0.69

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
SCHEMBL16712463 0.82 KHK (1.00) KHK
SCHEMBL16712468 0.81 KHK (1.00) KHK
SCHEMBL16712462 0.77 KHK (1.00) KHK
SCHEMBL17439549 0.75 KHK (0.61) KHK
SCHEMBL2710229 0.74 CA12 (0.62) —
SCHEMBL16712539 0.74 KHK (1.00) KHK
SCHEMBL2547130 0.73 KHK (0.58) KHK
SCHEMBL2549642 0.72 KHK (0.57) KHK
SCHEMBL17447237 0.71 KHK (0.54) KHK
SCHEMBL16712513 0.70 KHK (0.70) KHK

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
EP-2560962-B1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-05-20 — — EP disclosed
EP-2560962-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS Janssen Pharmaceutica NV (BE) 2013-02-27 — — EP disclosed
WO-2011133750-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-10-27 — — WO disclosed
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