SCHEMBL9024642

SCHEMBL9024642

CN(C)CCNc1ccc2c(CSCCN)nn3c4ccccc4c(=O)c1c23

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 18/20 0.57
▸ NQO1 P15559 10/20 0.57
▸ MITF O75030 1/20 0.43
▸ SMARCA2 P51531 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39

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
SCHEMBL9025355 0.91 NQO2 (0.44) NQO2NQO1
SCHEMBL9024630 0.87 NQO2 (0.52) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL9024826 0.83 NQO2 (0.63) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL9024126 0.80 NQO2 (0.41) NQO2NQO1
SCHEMBL9739746 0.78 NQO2 (0.59) NQO2NQO1MITF
SCHEMBL9740104 0.78 NQO2 (0.48) NQO2NQO1MITF
SCHEMBL9024703 0.76 NQO2 (0.48) NQO2NQO1
SCHEMBL9737559 0.76 NQO2 (0.54) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL9024299 0.74 NQO2 (0.49) NQO2NQO1
SCHEMBL9023520 0.74 NQO2 (0.60) 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 2 patents. 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
EP-0347749-A2 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-12-27 — — EP disclosed
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