SCHEMBL9023942

SCHEMBL9023942

NCCNc1ccc2c(CNCCOCCO)nn3c4cccc(O)c4c(=O)c1c23

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 2/20 0.35
▸ NQO2 P16083 2/20 0.35
▸ TOP2A P11388 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
SCHEMBL9025443 0.95 NQO2 (0.37) NQO1NQO2TOP2A
SCHEMBL9023862 0.95 NQO2 (0.36) NQO1NQO2TOP2A
SCHEMBL9023350 0.92 TOP2A (0.38) NQO1NQO2TOP2A
SCHEMBL9024018 0.91 NQO2 (0.38) NQO1NQO2TOP2A
SCHEMBL9024021 0.91 NQO1 (0.34) NQO1NQO2TOP2A
SCHEMBL9024437 0.90 NQO2 (0.37) NQO1NQO2
SCHEMBL9024639 0.90 NQO2 (0.42) NQO1NQO2
SCHEMBL9024127 0.87 TOP2A (0.40) NQO1NQO2TOP2A
SCHEMBL9023814 0.87 NQO2 (0.36) NQO1NQO2TOP2A
SCHEMBL9024632 0.87 NQO1 (0.35) NQO1NQO2TOP2A

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 5 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 claimed
EP-0347749-A2 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-12-27 — — EP claimed
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
EP-0347749-A2 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-12-27 — — EP disclosed
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