SCHEMBL9036810

SCHEMBL9036810

NCCNc1ccc2c(CN(CCO)CCO)nn3c4cccc(O)c4c(=O)c1c23

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 16/20 0.36
▸ NQO1 P15559 8/20 0.36
▸ NSD2 O96028 1/20 0.33
▸ SMARCA2 P51531 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ IDO1 P14902 2/20 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
SCHEMBL9023791 0.90 NQO2 (0.45) NQO2NQO1SMARCA2MITF
SCHEMBL9024175 0.88 NQO2 (0.40) NQO2NQO1NSD2SMARCA2
SCHEMBL9024018 0.85 NQO2 (0.38) NQO2NQO1NSD2MITFIDO1
SCHEMBL9024437 0.84 NQO2 (0.37) NQO2NQO1MITFIDO1
SCHEMBL10517310 0.83 NQO2 (0.37) NQO2NQO1SMARCA2MITFIDO1
SCHEMBL9023832 0.82 NQO2 (0.46) NQO2NQO1SMARCA2MITF
SCHEMBL9024127 0.81 TOP2A (0.40) NQO2NQO1NSD2
SCHEMBL9023942 0.81 NQO1 (0.35) NQO2NQO1
SCHEMBL9024632 0.81 NQO1 (0.35) NQO2NQO1
SCHEMBL9023814 0.81 NQO2 (0.36) NQO2NQO1MITFIDO1

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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