SCHEMBL8548375

SCHEMBL8548375

CCN(CC)Cc1nn2c3c(OC)cc(Br)c(OC)c3c(=O)c3c(NCCN)ccc1c32

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 16/20 0.40
▸ NQO1 P15559 3/20 0.32
▸ APP P05067 1/20 0.32
▸ NSD2 O96028 1/20 0.31
▸ SMARCA2 P51531 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
SCHEMBL8543409 0.91 NQO2 (0.43) NQO2NQO1SMARCA2
SCHEMBL8539725 0.87 NQO2 (0.33) NQO2NQO1
SCHEMBL8546683 0.87 NQO2 (0.52) NQO2NQO1APPNSD2SMARCA2
SCHEMBL8546834 0.86 NQO2 (0.32) NQO2APP
SCHEMBL8543503 0.78 NQO2 (0.38) NQO2NQO1NSD2SMARCA2
SCHEMBL8543086 0.77 NQO2 (0.56) NQO2NQO1
SCHEMBL8540000 0.77 BRD4 (0.31) NQO2NQO1
SCHEMBL8541733 0.76 NQO1 (0.35) NQO2NQO1
SCHEMBL8545884 0.75 CYP19A1 (0.31) NQO2
SCHEMBL8547225 0.75 NQO1 (0.33) 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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