SCHEMBL8540653

SCHEMBL8540653

COc1ccc(O)c2c1c(=O)c1c(NCCN)ccc3c(CNC(CO)CO)nn2c31

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 4/20 0.37
▸ NQO1 P15559 1/20 0.33
▸ IDO1 P14902 1/20 0.30

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
SCHEMBL8547506 0.95 NQO2 (0.36) NQO2NQO1IDO1
SCHEMBL8545091 0.90 IDO1 (0.34) NQO2NQO1IDO1
SCHEMBL8548765 0.90 NQO2 (0.36) NQO2NQO1
SCHEMBL8544353 0.88 NQO2 (0.38) NQO2NQO1IDO1
SCHEMBL9495484 0.86 KDM4E (0.38) IDO1
SCHEMBL8547225 0.85 NQO1 (0.33) NQO2NQO1
SCHEMBL8543902 0.85 IDO1 (0.35) NQO2NQO1IDO1
SCHEMBL8545959 0.83 NQO2 (0.38) NQO2NQO1IDO1
SCHEMBL8546736 0.81 NQO2 (0.43) NQO2NQO1
SCHEMBL8546284 0.81 NQO2 (0.39) 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 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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