SCHEMBL9024018

SCHEMBL9024018

NCCNc1ccc2c(CNCCO)nn3c4cccc(O)c4c(=O)c1c23

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 8/20 0.38
▸ NQO1 P15559 8/20 0.38
▸ TOP2A P11388 2/20 0.36
▸ IDO1 P14902 2/20 0.33
▸ CSNK2A1 P68400 2/20 0.32
▸ DYRK3 O43781 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ EPHA2 P29317 1/20 0.32
▸ FLT4 P35916 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ USP2 O75604 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ TP53 P04637 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ RECQL P46063 2/20 0.31
▸ BLM P54132 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL9024127 0.95 TOP2A (0.40) NQO2NQO1TOP2ACSNK2A1DYRK3
SCHEMBL9024437 0.95 NQO2 (0.37) NQO2NQO1IDO1HTTMAPT
SCHEMBL9023958 0.93 TOP2A (0.42) NQO2NQO1TOP2ACSNK2A1DYRK3
SCHEMBL9023814 0.92 NQO2 (0.36) NQO2NQO1TOP2AIDO1HTT
SCHEMBL9024632 0.91 NQO1 (0.35) NQO2NQO1TOP2A
SCHEMBL9023942 0.91 NQO1 (0.35) NQO2NQO1TOP2A
SCHEMBL9023868 0.90 NQO2 (0.38) NQO2NQO1TOP2AIDO1MEN1
SCHEMBL8543978 0.89 IDO1 (0.35) NQO2NQO1TOP2AIDO1CSNK2A1
SCHEMBL10517310 0.87 NQO2 (0.37) NQO2NQO1TOP2AIDO1HTT
SCHEMBL9025443 0.86 NQO2 (0.37) NQO2NQO1TOP2AIDO1

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 5 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 claimed
EP-0347749-A2 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-12-27 — — EP claimed
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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