SCHEMBL9024397

SCHEMBL9024397

COc1cccc2c1c(=O)c1c(NCCCN)ccc3c(CNCCCN)nn2c31

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 6/20 0.40
▸ NQO2 P16083 7/20 0.37
▸ BRD4 O60885 1/20 0.35
▸ NQO1 P15559 4/20 0.35
▸ HASPIN Q8TF76 1/20 0.35
▸ DYRK2 Q92630 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ UTS2R Q9UKP6 1/20 0.34
▸ HEXA P06865 1/20 0.33
▸ HEXB P07686 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
SCHEMBL9025524 0.95 TOP2A (0.38) TOP2ANQO2BRD4NQO1HASPIN
SCHEMBL9025183 0.95 NQO2 (0.38) TOP2ANQO2BRD4NQO1HASPIN
SCHEMBL9024084 0.91 NQO2 (0.37) TOP2ANQO2BRD4NQO1HASPIN
SCHEMBL9024054 0.88 TOP2A (0.38) TOP2ANQO2BRD4HASPINDYRK2
SCHEMBL9023868 0.86 NQO2 (0.38) TOP2ANQO2NQO1
SCHEMBL9032596 0.86 NQO2 (0.46) NQO2NQO1
SCHEMBL9025537 0.84 TOP2A (0.36) TOP2ABRD4HASPINDYRK2CHRM2
SCHEMBL9024299 0.84 NQO2 (0.49) NQO2NQO1
SCHEMBL8546736 0.83 NQO2 (0.43) TOP2ANQO2NQO1
SCHEMBL9023748 0.82 NQO2 (0.40) 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 2 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
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