SCHEMBL8541435

SCHEMBL8541435

COc1c(Br)cc(O)c2c1c(=O)c1c(NCCN3CCOCC3)ccc3c(CNC(CO)CO)nn2c31

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RXFP1 Q9HBX9 3/20 0.32
▸ RAD52 P43351 2/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ LMNA P02545 3/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SMARCA2 P51531 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ NQO1 P15559 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HBB P68871 1/20 0.32
▸ PIK3CA P42336 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
SCHEMBL9495484 0.87 KDM4E (0.38) CSF1RRXFP1RAD52KDM4ELMNA
SCHEMBL8547225 0.87 NQO1 (0.33) NQO1
SCHEMBL8542132 0.86 KMT2A (0.35) RAD52KDM4ELMNAKMT2ASMARCA2
SCHEMBL8541106 0.85 NQO1 (0.33) KDM4ELMNAKMT2APTGS2ALDH1A1
SCHEMBL8543506 0.85 NQO1 (0.35) NQO1
SCHEMBL8546706 0.82 — —
SCHEMBL8541733 0.76 NQO1 (0.35) NQO1
SCHEMBL8543353 0.75 NQO2 (0.37) SMARCA2NQO1
SCHEMBL8541462 0.75 NQO2 (0.40) RAD52SMARCA2NQO1
SCHEMBL8546612 0.72 HTR2A (0.32) KMT2A

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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