SCHEMBL30939423

SCHEMBL30939423

Sc1nc(NCc2c3ccccc3nc3ccccc23)nc2[nH]cnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 4/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 3/20 0.36
▸ APP P05067 6/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ UBE2N P61088 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RCE1 Q9Y256 1/20 0.36
▸ GAA P10253 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GLA P06280 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ BCHE P06276 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ MITF O75030 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
SCHEMBL30939422 0.77 RAD52 (0.39) RAD52KMT2APOLBAPPKDM4E
SCHEMBL9076301 0.68 SMN1; SMN2 (0.41) RAD52KMT2AKDM4EALDH1A1MAPT
SCHEMBL16146949 0.67 ADORA3 (0.44) KMT2APOLBKDM4EALDH1A1MAPT
SCHEMBL16147020 0.67 PDE4A (0.47) KMT2A
SCHEMBL13729103 0.66 APP (0.54) APPMAPTNPSR1GAA
SCHEMBL16146131 0.66 CDK1 (0.47) RAD52KMT2AAPPKDM4EALDH1A1
SCHEMBL8369493 0.66 CDK1 (0.44) RAD52LMNA
SCHEMBL27603868 0.65 RAD52 (0.68) RAD52KMT2APOLBAPPKDM4E
SCHEMBL1275415 0.63 KDM4E (0.31) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL5103819 0.63 CNR2 (0.43) KMT2APOLBAPPKDM4EALDH1A1

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
CN-118130677-A Method for detecting 6-thioguanine by rapid and high-efficiency chemical derivatization-high performance liquid chromatography 重庆医科大学国际体外诊断研究院 2024-06-04 — — CN claimed
CN-118130677-A Method for detecting 6-thioguanine by rapid and high-efficiency chemical derivatization-high performance liquid chromatography 重庆医科大学国际体外诊断研究院 2024-06-04 — — CN disclosed
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