SCHEMBL30939422

SCHEMBL30939422

c1ccc2c(CNc3ncc4nc[nH]c4n3)c3ccccc3nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ POLB P06746 4/20 0.39
▸ KDM4E B2RXH2 7/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ GAA P10253 5/20 0.37
▸ GLA P06280 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ APP P05067 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
SCHEMBL1019383 0.82 IP6K1 (0.47) RAD52KMT2APOLBKDM4EALDH1A1
SCHEMBL30939423 0.77 RAD52 (0.37) RAD52KMT2APOLBKDM4EALDH1A1
SCHEMBL30850601 0.76 RECQL (0.48) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3026520 0.73 CDK2 (0.60) KMT2APDPK1NTRK1MAPTRAB9A
SCHEMBL15690 0.72 SMN1; SMN2 (0.49) KMT2APOLBKDM4EALDH1A1ALOX15
SCHEMBL4411497 0.72 SMN1; SMN2 (0.49) KMT2AKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL5934350 0.70 HTT (0.40) KMT2AALDH1A1GLAHPGDHSD17B10
SCHEMBL16873181 0.70 CYP3A4 (0.40) RAD52KMT2APOLBKDM4EALDH1A1
SCHEMBL8542827 0.70 HDAC6 (0.44) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL6885719 0.69 GAA (0.36) KMT2AKDM4EALDH1A1GAAHPGD

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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