SCHEMBL8546683

SCHEMBL8546683

CCN(CC)Cc1nn2c3c(OC)ccc(OC)c3c(=O)c3c(NCCN)ccc1c32

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 16/20 0.52
▸ NQO1 P15559 3/20 0.33
▸ APP P05067 1/20 0.33
▸ NSD2 O96028 1/20 0.32
▸ SMARCA2 P51531 1/20 0.32
▸ TOP2A P11388 1/20 0.32
▸ TOP2B Q02880 1/20 0.32
▸ FERMT2 Q96AC1 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
SCHEMBL8543086 0.90 NQO2 (0.56) NQO2NQO1
SCHEMBL8548375 0.87 NQO2 (0.40) NQO2NQO1APPNSD2SMARCA2
SCHEMBL8546736 0.85 NQO2 (0.43) NQO2NQO1TOP2AFERMT2
SCHEMBL8543503 0.83 NQO2 (0.38) NQO2NQO1NSD2SMARCA2TOP2A
SCHEMBL9024175 0.80 NQO2 (0.40) NQO2NQO1NSD2SMARCA2
SCHEMBL8543409 0.77 NQO2 (0.43) NQO2NQO1SMARCA2
SCHEMBL8544353 0.76 NQO2 (0.38) NQO2NQO1NSD2TOP2A
SCHEMBL8543303 0.75 NQO2 (0.44) NQO2NQO1SMARCA2
SCHEMBL8540653 0.75 NQO2 (0.37) NQO2NQO1
SCHEMBL9025183 0.75 NQO2 (0.38) 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 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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