SCHEMBL30898291

SCHEMBL30898291

O=c1[nH]c2ccccc2n(CCc2ccccc2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 2/20 0.56
▸ GRIA2 P42262 2/20 0.56
▸ GRIA3 P42263 2/20 0.56
▸ GRIA4 P48058 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ POLB P06746 1/20 0.48
▸ LMNA P02545 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL30898292 1.00 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4SMN1; SMN2
SCHEMBL7318966 1.00 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4SMN1; SMN2
SCHEMBL7329647 0.85 APOBEC3G (0.61) GRIA1GRIA2GRIA3GRIA4SMN1; SMN2
SCHEMBL30530478 0.85 APOBEC3G (0.61) GRIA1GRIA2GRIA3GRIA4SMN1; SMN2
SCHEMBL8248960 0.85 LMNA (0.64) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL24335550 0.82 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4SMN1; SMN2
SCHEMBL29580203 0.82 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4SMN1; SMN2
SCHEMBL29579885 0.81 CYP1A2 (0.69) GRIA1GRIA2GRIA3GRIA4SMN1; SMN2
SCHEMBL982104 0.81 CYP1A2 (0.69) GRIA1GRIA2GRIA3GRIA4SMN1; SMN2
SCHEMBL29580047 0.79 ALDH1A1 (0.56) GRIA1GRIA2GRIA3GRIA4SMN1; SMN2

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-118047727-A Method for preparing quinoxaline-2, 3-diketone compound by virtue of regioselective photocatalytic oxidation 浙江工业大学台州研究院 2024-05-17 — — CN disclosed
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