SCHEMBL30833892

SCHEMBL30833892

COc1cc2c(c([N+](=O)[O-])c1OC)c1cc(OC)c(OC)c([N+](=O)[O-])c1c1cc(OC)c(OC)c([N+](=O)[O-])c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
MCL1 Q07820 1/20 0.49
TDP1 Q9NUW8 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
BLM P54132 1/20 0.47
HTT P42858 2/20 0.47
PTGS2 P35354 1/20 0.44
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 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
SCHEMBL30166025 1.00 PKM (0.53) PKMMCL1TDP1KDM4EMAPT
SCHEMBL27803052 1.00 PKM (0.53) PKMMCL1TDP1KDM4EMAPT
SCHEMBL11197453 0.81 PKM (0.56) PKMMCL1TDP1KDM4EMAPT
SCHEMBL2846191 0.78 PKM (0.53) PKMMCL1TDP1KDM4EMAPT
SCHEMBL11572355 0.78 HTT (0.57) PKMMCL1TDP1KDM4EMAPT
SCHEMBL9348700 0.77 PKM (0.65) PKMMCL1TDP1KDM4EMAPT
SCHEMBL9348410 0.76 PKM (0.55) PKMMCL1TDP1KDM4EMAPT
SCHEMBL9694935 0.76 PKM (0.54) PKMMCL1TDP1KDM4EMAPT
SCHEMBL17239822 0.75 PKM (0.50) PKMMCL1TDP1KDM4EMAPT
Benzene SCHEMBL27773872 0.75 PKM (0.54) PKMMCL1TDP1KDM4EMAPT

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-115490688-B Two-dimensional conductive metal organic framework material based on triazacoronene, and preparation method and application thereof 南开大学 2024-04-16 CN claimed
CN-115490688-B Two-dimensional conductive metal organic framework material based on triazacoronene, and preparation method and application thereof 南开大学 2024-04-16 CN disclosed