SCHEMBL9024299

SCHEMBL9024299

NCCCNCc1nn2c3ccccc3c(=O)c3c(NCCCN)ccc1c32

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 15/20 0.49
▸ NQO1 P15559 8/20 0.49
▸ IDO1 P14902 1/20 0.36
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35

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
SCHEMBL9024179 0.97 NQO2 (0.48) NQO2NQO1GRIN1GRIN2AGRIN2B
SCHEMBL9024703 0.94 NQO2 (0.48) NQO2NQO1IDO1
SCHEMBL9024401 0.89 NQO2 (0.48) NQO2NQO1
SCHEMBL9739746 0.87 NQO2 (0.59) NQO2NQO1
SCHEMBL9024106 0.87 NQO2 (0.47) NQO2NQO1
SCHEMBL9024920 0.87 NQO2 (0.47) NQO2NQO1
SCHEMBL9023868 0.86 NQO2 (0.38) NQO2NQO1IDO1GRIN1GRIN2A
SCHEMBL9024397 0.84 TOP2A (0.40) NQO2NQO1
SCHEMBL9024575 0.83 NQO2 (0.36) NQO2NQO1GRIN1GRIN2AGRIN2B
SCHEMBL9024826 0.83 NQO2 (0.63) 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-0347749-B1 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO KK (JP) 1996-04-24 — — EP disclosed
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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