SCHEMBL9023814

SCHEMBL9023814

NCCNCCNc1ccc2c(CNCCN)nn3c4cccc(O)c4c(=O)c1c23

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 10/20 0.36
▸ NQO1 P15559 8/20 0.36
▸ TOP2A P11388 1/20 0.35
▸ IDO1 P14902 3/20 0.32
▸ MITF O75030 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 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
SCHEMBL9024127 0.96 TOP2A (0.40) NQO2NQO1TOP2AMAPTHTT
SCHEMBL9024437 0.96 NQO2 (0.37) NQO2NQO1IDO1MITFMAPT
SCHEMBL9023868 0.94 NQO2 (0.38) NQO2NQO1TOP2AIDO1MITF
SCHEMBL9024018 0.92 NQO2 (0.38) NQO2NQO1TOP2AIDO1MITF
SCHEMBL9023958 0.91 TOP2A (0.42) NQO2NQO1TOP2AMITFMAPT
SCHEMBL10517310 0.90 NQO2 (0.37) NQO2NQO1TOP2AIDO1MITF
SCHEMBL10519205 0.88 NQO2 (0.38) NQO2NQO1TOP2AIDO1MITF
SCHEMBL9025443 0.87 NQO2 (0.37) NQO2NQO1TOP2AIDO1
SCHEMBL9024632 0.87 NQO1 (0.35) NQO2NQO1TOP2A
SCHEMBL9023942 0.87 NQO1 (0.35) NQO2NQO1TOP2A

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 4 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
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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