SCHEMBL8546736

SCHEMBL8546736

COc1ccc(OC)c2c1c(=O)c1c(NCCN)ccc3c(CNCCN)nn2c31

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 10/20 0.43
▸ NQO1 P15559 4/20 0.35
▸ TOP2A P11388 6/20 0.33
▸ FERMT2 Q96AC1 1/20 0.32
▸ EHMT2 Q96KQ7 1/20 0.32
▸ EHMT1 Q9H9B1 1/20 0.32

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
SCHEMBL9025183 0.89 NQO2 (0.38) NQO2NQO1TOP2A
SCHEMBL8544353 0.88 NQO2 (0.38) NQO2NQO1TOP2A
SCHEMBL8539725 0.86 NQO2 (0.33) NQO2NQO1TOP2AFERMT2EHMT2
SCHEMBL8546683 0.85 NQO2 (0.52) NQO2NQO1TOP2AFERMT2
SCHEMBL9025524 0.85 TOP2A (0.38) NQO2NQO1TOP2A
SCHEMBL8545959 0.85 NQO2 (0.38) NQO2NQO1TOP2A
SCHEMBL9024397 0.83 TOP2A (0.40) NQO2NQO1TOP2A
SCHEMBL9024054 0.83 TOP2A (0.38) NQO2TOP2A
SCHEMBL9024084 0.81 NQO2 (0.37) NQO2NQO1TOP2A
SCHEMBL8540653 0.81 NQO2 (0.37) NQO2NQO1

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-0487097-B1 Pyrazoloacridone derivatives KYOWA HAKKO KOGYO KK (JP) 1998-10-14 — — EP disclosed
US-5220026-A Antitumor agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-06-15 — — US disclosed
EP-0487097-A1 Pyrazoloacridone derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-05-27 — — EP disclosed
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