SCHEMBL9024234

SCHEMBL9024234

O=C(NCCCCNCc1nn2c3ccccc3c(=O)c3c(NCCCCNC(=O)OCc4ccccc4)ccc1c32)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.44
▸ NQO2 P16083 7/20 0.43
▸ NQO1 P15559 6/20 0.43
▸ HTT P42858 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9024051 0.83 CD274 (0.41) BRD4HTTLMNASMN1; SMN2
SCHEMBL9024984 0.82 NQO2 (0.45) NQO2NQO1
SCHEMBL9024703 0.78 NQO2 (0.48) NQO2NQO1
SCHEMBL9023796 0.68 NQO2 (0.47) NQO2NQO1KEAP1NFE2L2SMN1; SMN2
SCHEMBL3067744 0.68 HTT (0.67) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL4373055 0.68 HTT (0.67) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL9023722 0.68 TOP2A (0.38) NQO2NQO1
SCHEMBL9023814 0.67 NQO2 (0.36) NQO2NQO1HTT
SCHEMBL1299850 0.67 HTT (0.72) HTTTGM2KEAP1NFE2L2DPP8
SCHEMBL7877730 0.67 HTT (0.72) HTTTGM2KEAP1NFE2L2DPP8

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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