SCHEMBL9024084

SCHEMBL9024084

COc1cccc2c1c(=O)c1c(NCCNCCO)ccc3c(CNCCN)nn2c31

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 4/20 0.37
▸ NQO1 P15559 2/20 0.37
▸ TOP2A P11388 6/20 0.35
▸ DYRK3 O43781 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ EPHA2 P29317 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ HEXA P06865 1/20 0.33
▸ HEXB P07686 1/20 0.33
▸ HASPIN Q8TF76 1/20 0.33
▸ DYRK2 Q92630 1/20 0.33
▸ CHRM2 P08172 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ TOP2B Q02880 1/20 0.31

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
SCHEMBL9025524 0.96 TOP2A (0.38) NQO2NQO1TOP2AHEXAHEXB
SCHEMBL9025183 0.92 NQO2 (0.38) NQO2NQO1TOP2AHASPINDYRK2
SCHEMBL9024397 0.91 TOP2A (0.40) NQO2NQO1TOP2AHEXAHEXB
SCHEMBL9023748 0.90 NQO2 (0.40) NQO2NQO1
SCHEMBL9024127 0.88 TOP2A (0.40) NQO2NQO1TOP2ADYRK3RPS6KB1
SCHEMBL9024054 0.86 TOP2A (0.38) NQO2TOP2AHEXAHEXBHASPIN
SCHEMBL9023814 0.84 NQO2 (0.36) NQO2NQO1TOP2A
SCHEMBL9024018 0.84 NQO2 (0.38) NQO2NQO1TOP2ADYRK3RPS6KB1
SCHEMBL9023958 0.83 TOP2A (0.42) NQO2NQO1TOP2ADYRK3RPS6KB1
SCHEMBL8545959 0.83 NQO2 (0.38) NQO2NQO1TOP2ADYRK3RPS6KB1

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
EP-0347749-B1 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO KK (JP) 1996-04-24 — — EP disclosed
US-5079358-A Humans; leukemia KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-01-07 — — US disclosed
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