SCHEMBL21359924

SCHEMBL21359924

NC(=O)C1CCc2ccc3ccccc3c2N1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ NFKB1 P19838 8/20 0.39
▸ NFKB2 Q00653 8/20 0.39
▸ RELA Q04206 8/20 0.39
▸ SIRT1 Q96EB6 2/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SMYD3 Q9H7B4 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
SCHEMBL21358235 0.87 CYP1A2 (0.47) MEN1KMT2ASMN1; SMN2CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL14741343 0.86 CYP1A2 (0.46) MEN1KMT2ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL11264083 0.82 NFKB1 (0.42) MEN1KMT2ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL21358807 0.79 SLC40A1 (0.43) SMN1; SMN2CYP2D6HIF1ANFKB1
SCHEMBL28810122 0.74 CA1 (0.36) MEN1KMT2ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL6740937 0.74 ADRA2A (0.38) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL1268909 0.72 SMYD3 (0.59) SMYD3
SCHEMBL8044013 0.70 NFKB1 (0.68) NFKB1NFKB2RELA
SCHEMBL6618109 0.69 SCN3A (0.41) MEN1KMT2ASMYD3
SCHEMBL21358576 0.66 SLC40A1 (0.44) SMN1; SMN2CYP2D6HIF1ANFKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019177937-A1 SUBSTITUTED 2-PYRIDONE TRICYCLIC COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2019-09-19 — — WO claimed
WO-2019177937-A1 SUBSTITUTED 2-PYRIDONE TRICYCLIC COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2019-09-19 — — WO disclosed
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