SCHEMBL9023862

SCHEMBL9023862

O=c1c2c(O)cccc2n2nc(CNCCOCCO)c3ccc(NCCOCCO)c1c32

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 8/20 0.36
▸ NQO1 P15559 7/20 0.36
▸ KCNJ5 P48544 3/20 0.33
▸ KCNJ3 P48549 3/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ TOP2A P11388 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MAPT P10636 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
SCHEMBL9023942 0.95 NQO1 (0.35) NQO2NQO1TOP2A
SCHEMBL9023350 0.95 TOP2A (0.38) NQO2NQO1KMT2ATOP2AALDH1A1
SCHEMBL9024021 0.94 NQO1 (0.34) NQO2NQO1KCNJ5KCNJ3TOP2A
SCHEMBL9025443 0.93 NQO2 (0.37) NQO2NQO1TOP2A
SCHEMBL9024639 0.93 NQO2 (0.42) NQO2NQO1
SCHEMBL9024967 0.88 ALDH1A1 (0.31) KCNJ5KCNJ3ALDH1A1
SCHEMBL9023958 0.87 TOP2A (0.42) NQO2NQO1KMT2ATOP2AALDH1A1
SCHEMBL9024018 0.85 NQO2 (0.38) NQO2NQO1KMT2ATOP2AALDH1A1
SCHEMBL9023509 0.85 NQO2 (0.33) NQO2NQO1
SCHEMBL9024437 0.84 NQO2 (0.37) NQO2NQO1HTTMAPT

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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