SCHEMBL9023868

SCHEMBL9023868

NCCCNCc1nn2c3cccc(O)c3c(=O)c3c(NCCCN)ccc1c32

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 10/20 0.38
▸ NQO1 P15559 8/20 0.38
▸ IDO1 P14902 1/20 0.36
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TOP2A P11388 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ NSD2 O96028 1/20 0.30
▸ SMARCA2 P51531 1/20 0.30
▸ MITF O75030 1/20 0.30

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
SCHEMBL9023814 0.94 NQO2 (0.36) NQO2NQO1IDO1TOP2AMITF
SCHEMBL9024437 0.94 NQO2 (0.37) NQO2NQO1IDO1MITF
SCHEMBL10519205 0.92 NQO2 (0.38) NQO2NQO1IDO1TOP2AGRIN1
SCHEMBL9024127 0.91 TOP2A (0.40) NQO2NQO1MEN1ALDH1A1KMT2A
SCHEMBL9025443 0.91 NQO2 (0.37) NQO2NQO1IDO1TOP2A
SCHEMBL9024018 0.90 NQO2 (0.38) NQO2NQO1IDO1MEN1ALDH1A1
SCHEMBL9023796 0.88 NQO2 (0.47) NQO2NQO1ALDH1A1HPGDHSD17B10
SCHEMBL9023958 0.88 TOP2A (0.42) NQO2NQO1MEN1ALDH1A1KMT2A
SCHEMBL9024299 0.86 NQO2 (0.49) NQO2NQO1IDO1GRIN1GRIN2A
SCHEMBL9024397 0.86 TOP2A (0.40) NQO2NQO1TOP2A

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 4 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-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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