SCHEMBL8543503

SCHEMBL8543503

CCN(CC)Cc1nn2c3c(O)ccc(O)c3c(=O)c3c(NCCN)ccc1c32

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 11/20 0.38
▸ SMARCA2 P51531 2/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ G6PD P11413 1/20 0.36
▸ IDO1 P14902 3/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ TOP2B Q02880 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ LTK P29376 1/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ NQO1 P15559 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ RAD52 P43351 1/20 0.32

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
SCHEMBL8546029 0.89 NQO2 (0.44) NQO2SMARCA2NQO1MITFKEAP1
SCHEMBL8546191 0.84 IDO1 (0.37) NQO2IDO1NQO1MITF
SCHEMBL8546683 0.83 NQO2 (0.52) NQO2SMARCA2NSD2TOP2ATOP2B
SCHEMBL8543978 0.81 IDO1 (0.35) NQO2NSD2IDO1TOP2APIM1
SCHEMBL8546725 0.81 NQO1 (0.43) NQO2SMARCA2NQO1MITFKEAP1
SCHEMBL8547904 0.80 IDO1 (0.33) NQO2IDO1NQO1MITF
SCHEMBL8545091 0.80 IDO1 (0.34) NQO2IDO1NQO1
SCHEMBL9023832 0.79 NQO2 (0.46) NQO2SMARCA2NQO1MITFKEAP1
SCHEMBL9036810 0.79 NQO2 (0.36) NQO2SMARCA2NSD2IDO1NQO1
SCHEMBL8548375 0.78 NQO2 (0.40) NQO2SMARCA2NSD2NQO1

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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