SCHEMBL8541733

SCHEMBL8541733

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

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 2/20 0.35
▸ NQO2 P16083 2/20 0.35
▸ GRM1 Q13255 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
SCHEMBL8543353 0.95 NQO2 (0.37) NQO1NQO2
SCHEMBL8545408 0.93 NQO2 (0.36) NQO1NQO2GRM1
SCHEMBL8547828 0.92 NQO1 (0.35) NQO1NQO2GRM1
SCHEMBL8541462 0.90 NQO2 (0.40) NQO1NQO2
SCHEMBL8547225 0.89 NQO1 (0.33) NQO1NQO2
SCHEMBL8546612 0.88 HTR2A (0.32) —
SCHEMBL8539725 0.86 NQO2 (0.33) NQO1NQO2
SCHEMBL8541106 0.86 NQO1 (0.33) NQO1NQO2
SCHEMBL8544353 0.85 NQO2 (0.38) NQO1NQO2GRM1
SCHEMBL8543506 0.84 NQO1 (0.35) NQO1NQO2

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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