SCHEMBL8547450

SCHEMBL8547450

CN(C)CCNc1ccc2c(CNCCO)nn3c4c(O)ccc(O)c4c(=O)c1c23

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 6/20 0.43
▸ MITF O75030 1/20 0.43
▸ NQO2 P16083 15/20 0.41
▸ SMARCA2 P51531 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ RAD52 P43351 2/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ UHRF1 Q96T88 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
SCHEMBL8545422 0.91 NQO2 (0.42) NQO1MITFNQO2SMARCA2KEAP1
SCHEMBL8542166 0.89 MEN1 (0.44) NQO1MITFNQO2PAX8
SCHEMBL8543922 0.89 MEN1 (0.37) NQO1MITFNQO2PAX8
SCHEMBL8543978 0.87 IDO1 (0.35) NQO1NQO2PAX8
SCHEMBL8546725 0.87 NQO1 (0.43) NQO1MITFNQO2SMARCA2KEAP1
SCHEMBL105984 0.86 IDO1 (0.37) NQO1NQO2SMARCA2PAX8
SCHEMBL29369288 0.86 IDO1 (0.37) NQO1NQO2SMARCA2PAX8
SCHEMBL9024803 0.85 NQO2 (0.41) NQO1MITFNQO2SMARCA2KEAP1
SCHEMBL8541462 0.85 NQO2 (0.40) NQO1MITFNQO2SMARCA2KEAP1
Hydrochloric Acid SCHEMBL1650422 0.84 NQO2 (0.36) NQO1NQO2SMARCA2PAX8

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-0487097-B1 Pyrazoloacridone derivatives KYOWA HAKKO KOGYO KK (JP) 1998-10-14 — — EP disclosed
US-5220026-A Antitumor agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-06-15 — — US disclosed
EP-0487097-A1 Pyrazoloacridone derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-05-27 — — EP disclosed
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