SCHEMBL9025355

SCHEMBL9025355

NCCNc1ccc2c(CSCCN)nn3c4ccccc4c(=O)c1c23

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 17/20 0.44
▸ NQO1 P15559 10/20 0.44
▸ IDO1 P14902 2/20 0.33
▸ FERMT2 Q96AC1 1/20 0.32

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
SCHEMBL9024642 0.91 NQO2 (0.57) NQO2NQO1
SCHEMBL9024126 0.88 NQO2 (0.41) NQO2NQO1
SCHEMBL9024703 0.85 NQO2 (0.48) NQO2NQO1IDO1FERMT2
SCHEMBL9024299 0.79 NQO2 (0.49) NQO2NQO1IDO1
SCHEMBL9024179 0.78 NQO2 (0.48) NQO2NQO1
SCHEMBL9024630 0.77 NQO2 (0.52) NQO2NQO1
SCHEMBL9740104 0.74 NQO2 (0.48) NQO2NQO1
SCHEMBL9024106 0.73 NQO2 (0.47) NQO2NQO1
SCHEMBL9024920 0.73 NQO2 (0.47) NQO2NQO1
SCHEMBL9024826 0.72 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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