SCHEMBL9024667

SCHEMBL9024667

Nc1ccc2c(CNCCNCCO)nn3c4ccccc4c(=O)c1c23

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 5/20 0.39
▸ NQO2 P16083 5/20 0.39
▸ TERT O14746 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PDCD1 Q15116 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ EGFR P00533 1/20 0.30
▸ SRC P12931 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
SCHEMBL9024575 0.88 NQO2 (0.36) NQO1NQO2
SCHEMBL9739130 0.84 NQO2 (0.46) NQO1NQO2KDM4EALDH1A1
SCHEMBL2725699 0.82 NQO1 (0.39) NQO1NQO2KDM4EALOX15TSHR
SCHEMBL9023717 0.81 L3MBTL1 (0.43) KDM4EALOX15TSHRLMNAMEN1
SCHEMBL9023847 0.79 G6PD (0.39) NQO1NQO2
SCHEMBL9024703 0.76 NQO2 (0.48) NQO1NQO2
SCHEMBL9024920 0.75 NQO2 (0.47) NQO1NQO2KMT2A
SCHEMBL9024106 0.75 NQO2 (0.47) NQO1NQO2
SCHEMBL9023722 0.74 TOP2A (0.38) NQO1NQO2
SCHEMBL9024299 0.74 NQO2 (0.49) 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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