SCHEMBL28523668

SCHEMBL28523668

COc1ncnc(Oc2cc[c]cc2)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.52
▸ LMNA P02545 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA13 Q8N1Q1 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ GPR119 Q8TDV5 5/20 0.39
▸ MERTK Q12866 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL21858751 0.85 MAPT (0.55) MAPTLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL28523656 0.84 MAPT (0.47) MAPTLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL21611475 0.83 MAPT (0.56) MAPTLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL21611534 0.83 MAPT (0.56) MAPTLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL21611440 0.82 MAPT (0.52) MAPTLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL9165003 0.81 CA1 (0.49) MAPTLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL21611540 0.81 MAPT (0.49) MAPTLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL21611484 0.81 MAPT (0.53) MAPTLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL23646428 0.80 MAPT (0.53) MAPTLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL21611389 0.80 MAPT (0.58) MAPTLMNAALDH1A1SMN1; SMN2CA1

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-112368276-A Amino-pyrimidinone derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-02-12 — — CN disclosed
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