SCHEMBL31315694

SCHEMBL31315694

O=c1[nH]c2ccccc2nc1C(O)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ POLB P06746 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PLAUR Q03405 1/20 0.44
▸ IDO1 P14902 1/20 0.42

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
SCHEMBL30020933 0.93 KDM4E (0.54) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL31315688 0.82 HRH4 (0.44) SMN1; SMN2POLB
SCHEMBL31315693 0.79 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL31315696 0.79 CYP1A2 (0.47) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL3560758 0.74 CHEK2 (0.65) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL29101812 0.73 MEN1 (0.57) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL30637059 0.73 MEN1 (0.57) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL31315687 0.72 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL5798716 0.71 KDM4E (0.55) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL24289840 0.71 KDM4E (0.62) KMT2AMEN1ALDH1A1KDM4EHPGD

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-115233244-B Method for electrochemically synthesizing 3-hydroxyalkyl quinoxaline-2 (1H) -ketone compound 桂林医学院 2024-12-27 — — CN disclosed
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