SCHEMBL21358235

SCHEMBL21358235

O=C(O)C1CCc2ccc3ccccc3c2N1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ NFKB1 P19838 6/20 0.42
▸ NFKB2 Q00653 6/20 0.42
▸ RELA Q04206 6/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NR4A1 P22736 1/20 0.37
▸ MME P08473 3/20 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
Hydrochloric Acid SCHEMBL14741343 0.99 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL21359924 0.87 MEN1 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL11264083 0.83 NFKB1 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL21358576 0.78 SLC40A1 (0.44) CYP2D6HIF1ANFKB1SMN1; SMN2MAPT
SCHEMBL6740937 0.75 ADRA2A (0.38) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL22235526 0.73 GAA (0.38) CYP1A2SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL5265048 0.73 GAA (0.41) GAAMAPTMME
SCHEMBL8129742 0.73 GAA (0.41) GAAMAPTMME
SCHEMBL28810122 0.72 CA1 (0.36) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL444953 0.71 GAA (0.69) CYP1A2SMN1; SMN2GAAMAPTALDH1A1

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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