SCHEMBL9023722

SCHEMBL9023722

COc1ccc2c(CNCCN)nn3c4ccccc4c(=O)c1c23

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 6/20 0.38
▸ NQO1 P15559 5/20 0.35
▸ NQO2 P16083 5/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SCN8A Q9UQD0 1/20 0.33
▸ KCNA3 P22001 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ HASPIN Q8TF76 1/20 0.33
▸ DYRK2 Q92630 1/20 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
SCHEMBL9024054 0.90 TOP2A (0.38) TOP2ANQO2CHRM2GLAHPGD
SCHEMBL9024575 0.85 NQO2 (0.36) NQO1NQO2GLAHPGDAPEX1
SCHEMBL9023847 0.84 G6PD (0.39) NQO1NQO2GLAHPGDAPEX1
SCHEMBL9024703 0.83 NQO2 (0.48) NQO1NQO2
SCHEMBL9025537 0.82 TOP2A (0.36) TOP2ACHRM2HASPINDYRK2
SCHEMBL9025183 0.82 NQO2 (0.38) TOP2ANQO1NQO2HASPINDYRK2
SCHEMBL9024240 0.82 KDM1A (0.38) NQO1NQO2KDM1AL3MBTL1KCNA3
SCHEMBL9024051 0.81 CD274 (0.41) L3MBTL1
SCHEMBL8546736 0.81 NQO2 (0.43) TOP2ANQO1NQO2
SCHEMBL9025524 0.80 TOP2A (0.38) TOP2ANQO1NQO2CHRM2HASPIN

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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