SCHEMBL28383481

SCHEMBL28383481

NC(=O)Nn1cnc2c(=O)[nH]c(=O)[nH]c21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.38
▸ GDA Q9Y2T3 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ RPS6KA3 P51812 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ PABPC1 P11940 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ADORA1 P30542 1/20 0.30
▸ ACHE P22303 1/20 0.30

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
SCHEMBL2562945 0.87 PNP (0.38) PNPGDAALDH1A1RPS6KA3KDM4E
SCHEMBL9515053 0.78 GDA (0.41) PNPGDAALDH1A1RPS6KA3KDM4E
SCHEMBL6555066 0.76 PNP (0.40) PNPGDAALDH1A1RPS6KA3KDM4E
SCHEMBL7221073 0.73 PNP (0.38) PNPGDAALDH1A1RPS6KA3KDM4E
SCHEMBL6275156 0.72 PNP (0.42) PNPGDAALDH1A1RPS6KA3KDM4E
SCHEMBL133948 0.72 PNP (0.41) PNPGDAALDH1A1KDM4ECYP1A2
SCHEMBL618978 0.72 PNP (0.44) PNPGDAALDH1A1RPS6KA3KDM4E
SCHEMBL2837687 0.72 PNP (0.41) PNPGDAALDH1A1RPS6KA3KDM4E
SCHEMBL9669020 0.72 PNP (0.35) PNPGDAALDH1A1KDM4ECYP1A2
SCHEMBL2352519 0.71 PNP (0.43) PNPGDAALDH1A1RPS6KA3KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114848716-A Traditional Chinese medicine powder for treating kidney stone 中山大学附属第五医院 2022-08-05 — — CN disclosed
CN-111801118-A Treatment of monogenic disorders with anti-CD 45RC antibodies 法国国家健康和医学研究院 2020-10-20 — — CN disclosed
CN-107099607-B Primer combination and kit for simultaneously detecting 93 cattle genetic defect genes and lethal haplotypes 山东省农业科学院奶牛研究中心 2020-03-17 — — CN disclosed
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