SCHEMBL28297130

SCHEMBL28297130

O=C(n1cnc2c(=O)[nH]c(=O)[nH]c21)n1cnc2c(=O)[nH]c(=O)[nH]c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.42
ALDH1A1 P00352 2/20 0.36
GDA Q9Y2T3 2/20 0.35
RPS6KA3 P51812 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
BLM P54132 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
PABPC1 P11940 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
CASP7 P55210 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACHE P22303 1/20 0.31
LMNA P02545 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
SCHEMBL8884689 0.90 PNP (0.40) PNPALDH1A1GDARPS6KA3MEN1
SCHEMBL6275156 0.89 PNP (0.42) PNPALDH1A1GDARPS6KA3MEN1
SCHEMBL6555066 0.86 PNP (0.40) PNPALDH1A1GDARPS6KA3MEN1
SCHEMBL7221073 0.82 PNP (0.38) PNPALDH1A1GDARPS6KA3BLM
Glycine SCHEMBL7593708 0.79 PNP (0.39) PNPALDH1A1TDP1KDM4ETK1
SCHEMBL618978 0.78 PNP (0.44) PNPALDH1A1GDARPS6KA3MEN1
SCHEMBL2352519 0.77 PNP (0.43) PNPALDH1A1GDARPS6KA3MEN1
Hydrochloric Acid SCHEMBL28403441 0.76 PNP (0.43) PNPALDH1A1GDARPS6KA3MEN1
SCHEMBL8356642 0.74 PNP (0.41) PNPALDH1A1GDARPS6KA3MEN1
SCHEMBL9949248 0.74 PNP (0.41) PNPALDH1A1GDARPS6KA3MEN1

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-117695359-A Compound fermentation liquor of four-mulch pill as well as preparation method and application thereof 成都大学 2024-03-15 CN disclosed
CN-109804306-A Light orientation copolymer material 罗利克技术有限公司 2019-05-24 CN disclosed