SCHEMBL28523656

SCHEMBL28523656

COc1ncnc(Oc2c[c]ccc2)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.47
▸ LMNA P02545 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ 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
▸ PIN1 Q13526 1/20 0.36
▸ GPR119 Q8TDV5 4/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL5496736 0.85 MAPT (0.44) MAPTLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL28523668 0.84 MAPT (0.52) MAPTLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL21858751 0.84 MAPT (0.55) MAPTLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL21611500 0.80 MAPT (0.60) MAPTLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL21611504 0.78 LMNA (0.50) MAPTLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL21611550 0.78 MAPT (0.75) MAPTLMNAALDH1A1SMN1; SMN2TP53
SCHEMBL21611402 0.77 MAPT (0.56) MAPTLMNAALDH1A1SMN1; SMN2TP53
SCHEMBL21611426 0.77 MAPT (0.56) MAPTLMNAALDH1A1SMN1; SMN2TP53
SCHEMBL21611536 0.77 MAPT (0.56) MAPTLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL28517393 0.77 TRPA1 (0.36) MAPTLMNAMEN1KMT2A

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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