SCHEMBL9737446

SCHEMBL9737446

O=c1c2ccccc2n2nc(CNCCNC(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(Br)c1c32

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 5/20 0.33
▸ NQO2 P16083 5/20 0.33

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
SCHEMBL9024099 0.85 NQO1 (0.32) NQO1NQO2
SCHEMBL9737559 0.82 NQO2 (0.54) NQO1NQO2
SCHEMBL9023936 0.77 NQO2 (0.34) NQO1NQO2
SCHEMBL9024575 0.72 NQO2 (0.36) NQO1NQO2
SCHEMBL9024106 0.72 NQO2 (0.47) NQO1NQO2
SCHEMBL9024920 0.72 NQO2 (0.47) NQO1NQO2
SCHEMBL9024667 0.72 NQO1 (0.39) NQO1NQO2
SCHEMBL9023847 0.72 G6PD (0.39) NQO1NQO2
SCHEMBL9024241 0.71 MAPT (0.32) —
SCHEMBL9024703 0.71 NQO2 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5079358-A Humans; leukemia KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-01-07 — — US disclosed
EP-0347749-A2 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-12-27 — — EP disclosed
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