SCHEMBL9024099

SCHEMBL9024099

O=c1c2ccccc2n2nc(CSCCNC(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(Br)c1c32

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 2/20 0.32
▸ NQO2 P16083 2/20 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
SCHEMBL9024126 0.85 NQO2 (0.41) NQO1NQO2
SCHEMBL9737446 0.85 NQO1 (0.33) NQO1NQO2
SCHEMBL9024630 0.83 NQO2 (0.52) NQO1NQO2
SCHEMBL9023936 0.75 NQO2 (0.34) NQO1NQO2
SCHEMBL9025355 0.71 NQO2 (0.44) NQO1NQO2
SCHEMBL9737559 0.69 NQO2 (0.54) NQO1NQO2
SCHEMBL9023793 0.68 ALDH1A1 (0.41) NQO1NQO2
SCHEMBL9024642 0.67 NQO2 (0.57) NQO1NQO2
SCHEMBL9024155 0.64 — —
SCHEMBL9023550 0.63 G6PD (0.46) NQO1NQO2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347749-B1 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO KK (JP) 1996-04-24 — — EP disclosed
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