SCHEMBL9023796

SCHEMBL9023796

CN(C)CCCNCc1nn2c3cccc(O)c3c(=O)c3c(NCCCN(C)C)ccc1c32

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 14/20 0.47
▸ NQO1 P15559 7/20 0.42
▸ MITF O75030 1/20 0.40
▸ SMARCA2 P51531 2/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ NSD2 O96028 1/20 0.36
▸ BRCA1 P38398 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL9023931 0.93 NQO2 (0.47) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL9024803 0.90 NQO2 (0.41) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL9023868 0.88 NQO2 (0.38) NQO2NQO1MITFSMARCA2NSD2
SCHEMBL9024639 0.88 NQO2 (0.42) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL9739746 0.87 NQO2 (0.59) NQO2NQO1MITF
SCHEMBL9024437 0.86 NQO2 (0.37) NQO2NQO1MITF
SCHEMBL9023958 0.85 TOP2A (0.42) NQO2NQO1MITFNSD2SMN1; SMN2
SCHEMBL9023814 0.84 NQO2 (0.36) NQO2NQO1MITF
SCHEMBL9024018 0.84 NQO2 (0.38) NQO2NQO1MITFNSD2SMN1; SMN2
SCHEMBL9024127 0.83 TOP2A (0.40) NQO2NQO1NSD2SMN1; SMN2HIF1A

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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