SCHEMBL9023791

SCHEMBL9023791

CN(C)CCNc1ccc2c(CN(CCO)CCO)nn3c4cccc(O)c4c(=O)c1c23

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 18/20 0.45
▸ NQO1 P15559 7/20 0.45
▸ MITF O75030 1/20 0.43
▸ SMARCA2 P51531 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40

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
SCHEMBL9023832 0.92 NQO2 (0.46) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL9036810 0.90 NQO2 (0.36) NQO2NQO1MITFSMARCA2
SCHEMBL8546725 0.89 NQO1 (0.43) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL9024039 0.89 NQO2 (0.43) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL9023931 0.86 NQO2 (0.47) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL9024803 0.84 NQO2 (0.41) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL9024639 0.83 NQO2 (0.42) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL9023796 0.83 NQO2 (0.47) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL8543303 0.83 NQO2 (0.44) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL8546029 0.81 NQO2 (0.44) NQO2NQO1MITFSMARCA2KEAP1

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 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
Send feedback