SCHEMBL8547904

SCHEMBL8547904

COCCNCc1nn2c3c(O)ccc(O)c3c(=O)c3c(NCCN)ccc1c32

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.33
▸ NQO1 P15559 2/20 0.31
▸ NQO2 P16083 1/20 0.31
▸ UTS2R Q9UKP6 1/20 0.30
▸ MITF O75030 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
SCHEMBL8546191 0.91 IDO1 (0.37) IDO1NQO1NQO2MITF
SCHEMBL8543978 0.89 IDO1 (0.35) IDO1NQO1NQO2
SCHEMBL8544353 0.85 NQO2 (0.38) IDO1NQO1NQO2
SCHEMBL29369288 0.83 IDO1 (0.37) IDO1NQO1NQO2
SCHEMBL105984 0.83 IDO1 (0.37) IDO1NQO1NQO2
Hydrochloric Acid SCHEMBL1650422 0.81 NQO2 (0.36) IDO1NQO1NQO2
SCHEMBL8545091 0.81 IDO1 (0.34) IDO1NQO1NQO2
SCHEMBL8542166 0.81 MEN1 (0.44) NQO1NQO2MITF
SCHEMBL8543503 0.80 NQO2 (0.38) IDO1NQO1NQO2MITF
SCHEMBL8543922 0.80 MEN1 (0.37) NQO1NQO2MITF

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
Send feedback