SCHEMBL8541245

SCHEMBL8541245

COc1c(Br)cc(O)c2c1c(=O)c1c(NCCN(C)C)ccc3c(CN(CCO)CCO)nn2c31

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 16/20 0.40
▸ NQO1 P15559 7/20 0.40
▸ MITF O75030 1/20 0.40
▸ SMARCA2 P51531 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ PAX8 Q06710 1/20 0.34
▸ RAD52 P43351 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
SCHEMBL8541462 0.89 NQO2 (0.40) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL8547454 0.86 SMN1; SMN2 (0.30) —
SCHEMBL8543303 0.85 NQO2 (0.44) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL8546725 0.85 NQO1 (0.43) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL8543409 0.84 NQO2 (0.43) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL8545408 0.80 NQO2 (0.36) NQO2NQO1PAX8
SCHEMBL9023791 0.80 NQO2 (0.45) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL9024039 0.80 NQO2 (0.43) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL8541733 0.79 NQO1 (0.35) NQO2NQO1
SCHEMBL8547828 0.79 NQO1 (0.35) NQO2NQO1

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-0487097-B1 Pyrazoloacridone derivatives KYOWA HAKKO KOGYO KK (JP) 1998-10-14 — — EP disclosed
EP-0487097-A1 Pyrazoloacridone derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-05-27 — — EP disclosed
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