SCHEMBL9739746

SCHEMBL9739746

CN(C)CCCNCc1nn2c3ccccc3c(=O)c3c(NCCCN(C)C)ccc1c32

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 17/20 0.59
▸ NQO1 P15559 9/20 0.56
▸ MITF O75030 1/20 0.42

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
SCHEMBL9024826 0.92 NQO2 (0.63) NQO2NQO1MITF
SCHEMBL9024401 0.88 NQO2 (0.48) NQO2NQO1MITF
SCHEMBL9024299 0.87 NQO2 (0.49) NQO2NQO1
SCHEMBL9023796 0.87 NQO2 (0.47) NQO2NQO1MITF
SCHEMBL9024179 0.86 NQO2 (0.48) NQO2NQO1
SCHEMBL9024703 0.85 NQO2 (0.48) NQO2NQO1
SCHEMBL9023520 0.85 NQO2 (0.60) NQO2NQO1
SCHEMBL9023829 0.84 NQO2 (0.43) NQO2NQO1MITF
SCHEMBL9737559 0.84 NQO2 (0.54) NQO2NQO1MITF
SCHEMBL9024920 0.84 NQO2 (0.47) NQO2NQO1MITF

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 1 patent. 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
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