SCHEMBL9024021

SCHEMBL9024021

CNCCNc1ccc2c(CNCCOCCO)nn3c4cccc(O)c4c(=O)c1c23

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 5/20 0.34
▸ NQO2 P16083 5/20 0.34
▸ TOP2A P11388 1/20 0.31
▸ KCNJ5 P48544 2/20 0.31
▸ KCNJ3 P48549 2/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL9023862 0.94 NQO2 (0.36) NQO1NQO2TOP2AKCNJ5KCNJ3
SCHEMBL9023350 0.93 TOP2A (0.38) NQO1NQO2TOP2AALDH1A1
SCHEMBL9025443 0.91 NQO2 (0.37) NQO1NQO2TOP2A
SCHEMBL9023942 0.91 NQO1 (0.35) NQO1NQO2TOP2A
SCHEMBL9024639 0.90 NQO2 (0.42) NQO1NQO2
SCHEMBL9023958 0.85 TOP2A (0.42) NQO1NQO2TOP2AALDH1A1
SCHEMBL9024967 0.85 ALDH1A1 (0.31) KCNJ5KCNJ3ALDH1A1
SCHEMBL9023509 0.83 NQO2 (0.33) NQO1NQO2
SCHEMBL9024018 0.82 NQO2 (0.38) NQO1NQO2TOP2AALDH1A1
SCHEMBL9024127 0.81 TOP2A (0.40) NQO1NQO2TOP2AALDH1A1

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 3 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
EP-0347749-A2 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-12-27 — — EP disclosed
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