SCHEMBL8543353

SCHEMBL8543353

COc1c(Br)cc(O)c2c1c(=O)c1c(NCCCN)ccc3c(CNCCO)nn2c31

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 7/20 0.37
▸ NQO1 P15559 6/20 0.37
▸ NSD2 O96028 1/20 0.30
▸ SMARCA2 P51531 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
SCHEMBL8541733 0.95 NQO1 (0.35) NQO2NQO1
SCHEMBL8545408 0.94 NQO2 (0.36) NQO2NQO1NSD2
SCHEMBL8547828 0.92 NQO1 (0.35) NQO2NQO1
SCHEMBL8543506 0.89 NQO1 (0.35) NQO2NQO1
SCHEMBL8541462 0.89 NQO2 (0.40) NQO2NQO1SMARCA2
SCHEMBL8546612 0.86 HTR2A (0.32) —
SCHEMBL8541106 0.86 NQO1 (0.33) NQO2NQO1NSD2
SCHEMBL8545959 0.85 NQO2 (0.38) NQO2NQO1NSD2
SCHEMBL8547225 0.84 NQO1 (0.33) NQO2NQO1
SCHEMBL105984 0.84 IDO1 (0.37) NQO2NQO1NSD2SMARCA2

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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