SCHEMBL28826572

SCHEMBL28826572

O=C(O)c1cc(C=NO)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.43
▸ ALPL P05186 11/20 0.41
▸ CA12 O43570 5/20 0.41
▸ RPA1 P27694 1/20 0.40
▸ HCAR3 P49019 4/20 0.39
▸ PIN1 Q13526 1/20 0.39
▸ CA9 Q16790 4/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL27865417 0.79 ALPL (0.49) TP53ALPLCA12RPA1HCAR3
SCHEMBL27806704 0.73 ALPL (0.46) TP53ALPLCA12RPA1HCAR3
SCHEMBL12304379 0.71 TP53 (0.47) TP53ALPLCA12RPA1HCAR3
SCHEMBL29956218 0.68 TP53 (0.48) TP53ALPLCA12RPA1HCAR3
SCHEMBL14342644 0.68 PTGS2 (0.64) TP53ALPLCA12CA9HCAR2
SCHEMBL7878964 0.67 — —
SCHEMBL70577 0.67 HCAR2 (0.59) TP53ALPLCA12HCAR3HCAR2
SCHEMBL20641155 0.67 PTGS1 (0.49) TP53PIN1HCAR2
SCHEMBL20641154 0.67 PTGS1 (0.49) TP53PIN1HCAR2
Hydrochloric Acid SCHEMBL11595364 0.66 HCAR2 (0.57) TP53ALPLCA12HCAR3HCAR2

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-103068813-B Anthranilic acid diamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-24 — — CN disclosed
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