SCHEMBL9023281

SCHEMBL9023281

COc1cccc2c1c(=O)c1c(OC)ccc3c(CN(CCO)CCO)nn2c31

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NQO2 P16083 2/20 0.32
▸ ACHE P22303 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PABPC1 P11940 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ SMARCA2 P51531 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31

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
SCHEMBL9023557 0.92 MEN1 (0.34) KMT2AMEN1USP2SMN1; SMN2ACHE
SCHEMBL9024129 0.90 ABCB1 (0.36) KMT2AMEN1USP2SMN1; SMN2NQO2
SCHEMBL9024175 0.87 NQO2 (0.40) NQO2SMARCA2
SCHEMBL9024039 0.87 NQO2 (0.43) NQO2SMARCA2
SCHEMBL9023606 0.84 ALDH1A1 (0.34) KMT2AMEN1NQO2ESR1KDM5A
SCHEMBL9024529 0.80 KDM1A (0.34) KMT2AMEN1NQO2ALDH1A1GAA
SCHEMBL9024132 0.77 ALDH1A1 (0.33) KMT2AMEN1ESR1KDM5AESR2
SCHEMBL9023725 0.77 MAPT (0.38) KMT2AMEN1NQO2ESR1KDM5A
SCHEMBL8543303 0.76 NQO2 (0.44) NQO2SMARCA2
SCHEMBL9024054 0.76 TOP2A (0.38) NQO2ALDH1A1MAPTKDM4EHTT

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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