SCHEMBL9023847

SCHEMBL9023847

NCCNCc1nn2c3ccccc3c(=O)c3c(O)ccc1c32

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ G6PD P11413 1/20 0.39
▸ NQO1 P15559 5/20 0.38
▸ NQO2 P16083 5/20 0.38
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SYK P43405 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GRIN1 Q05586 3/20 0.33
▸ GRIN2A Q12879 3/20 0.33
▸ GRIN2B Q13224 3/20 0.33
▸ IDO1 P14902 3/20 0.33
▸ SCN8A Q9UQD0 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
SCHEMBL9024575 0.88 NQO2 (0.36) NQO1NQO2SYKGLAHPGD
SCHEMBL9024703 0.86 NQO2 (0.48) NQO1NQO2IDO1
SCHEMBL9023722 0.84 TOP2A (0.38) NQO1NQO2SYKGLAHPGD
SCHEMBL9024299 0.82 NQO2 (0.49) NQO1NQO2GRIN1GRIN2AGRIN2B
SCHEMBL9024179 0.81 NQO2 (0.48) NQO1NQO2GRIN1GRIN2AGRIN2B
SCHEMBL9024634 0.81 MAPT (0.32) MAPTHTT
SCHEMBL9024437 0.81 NQO2 (0.37) NQO1NQO2MAPTHTTIDO1
SCHEMBL9023550 0.80 G6PD (0.46) G6PDNQO1NQO2MAPTHTT
SCHEMBL8546191 0.80 IDO1 (0.37) NQO1NQO2IDO1
SCHEMBL9023814 0.79 NQO2 (0.36) NQO1NQO2MAPTHTTIDO1

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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