SCHEMBL8542132

SCHEMBL8542132

O=c1c2c(O)ccc(O)c2n2nc(CNC(CO)CO)c3ccc(NCCN4CCOCC4)c1c32

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.35
▸ MEN1 O00255 6/20 0.35
▸ LMNA P02545 5/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ POLB P06746 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NQO1 P15559 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ IDE P14735 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ SMARCA2 P51531 2/20 0.33
▸ MALT1 Q9UDY8 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL9495484 0.92 KDM4E (0.38) KMT2AMEN1LMNAKDM4EPOLB
SCHEMBL8541435 0.86 HSP90AA1 (0.33) KMT2AMEN1LMNAKDM4EPOLB
SCHEMBL8545091 0.84 IDO1 (0.34) NQO1
SCHEMBL8543902 0.83 IDO1 (0.35) NQO1
SCHEMBL8541618 0.83 MEN1 (0.39) KMT2AMEN1LMNAKDM4EPOLB
SCHEMBL9024406 0.79 KMT2A (0.39) KMT2AMEN1LMNAKDM4EPOLB
SCHEMBL8547506 0.74 NQO2 (0.36) NQO1
SCHEMBL9023944 0.73 KDM4E (0.46) KMT2AMEN1LMNAKDM4EPOLB
SCHEMBL8543978 0.71 IDO1 (0.35) KMT2AMEN1LMNAKDM4EPOLB
SCHEMBL8547225 0.70 NQO1 (0.33) NQO1

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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