SCHEMBL9024803

SCHEMBL9024803

CN(C)CCNCc1nn2c3cccc(O)c3c(=O)c3c(NCCNCCO)ccc1c32

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 14/20 0.41
▸ NQO1 P15559 7/20 0.41
▸ MITF O75030 1/20 0.39
▸ TOP2A P11388 2/20 0.38
▸ FGFR1 P11362 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ SMARCA2 P51531 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ SLC22A2 O15244 1/20 0.34
▸ SLC22A1 O15245 1/20 0.34
▸ CACNA1F O60840 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ SLC22A3 O75751 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL9023931 0.93 NQO2 (0.47) NQO2NQO1MITFFGFR1KDR
SCHEMBL9023958 0.93 TOP2A (0.42) NQO2NQO1MITFTOP2AMEN1
SCHEMBL9023796 0.90 NQO2 (0.47) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL9023748 0.90 NQO2 (0.40) NQO2NQO1MITFFGFR1KDR
SCHEMBL9024127 0.89 TOP2A (0.40) NQO2NQO1TOP2AMEN1NPC1
SCHEMBL9024639 0.88 NQO2 (0.42) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL9023350 0.87 TOP2A (0.38) NQO2NQO1TOP2AMEN1NPC1
SCHEMBL9024018 0.86 NQO2 (0.38) NQO2NQO1MITFTOP2AMEN1
SCHEMBL8547450 0.85 NQO1 (0.43) NQO2NQO1MITFSMARCA2KEAP1
SCHEMBL9023814 0.85 NQO2 (0.36) NQO2NQO1MITFTOP2AHTT

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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