SCHEMBL9738372

SCHEMBL9738372

CN(C)CCNCc1nn2c3ccccc3c(=O)c3cccc1c32

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 5/20 0.46
▸ NQO1 P15559 1/20 0.46
▸ KAT2B Q92831 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TERT O14746 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ NCF1 P14598 1/20 0.35
▸ DNM2 P50570 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
SCHEMBL9739130 0.85 NQO2 (0.46) NQO2NQO1KAT2BALDH1A1KDM4E
SCHEMBL2725699 0.84 NQO1 (0.39) NQO2NQO1ALDH1A1KDM4E
SCHEMBL9024826 0.84 NQO2 (0.63) NQO2NQO1
SCHEMBL9739746 0.78 NQO2 (0.59) NQO2NQO1
SCHEMBL9024060 0.77 KDM4E (0.51) NQO2NQO1ALDH1A1KDM4EHPGD
SCHEMBL9025023 0.77 L3MBTL1 (0.50) ALDH1A1KDM4EHPGDHSD17B10PARP1
SCHEMBL9737559 0.75 NQO2 (0.54) NQO2NQO1
SCHEMBL9023931 0.75 NQO2 (0.47) NQO2NQO1
SCHEMBL9025088 0.74 ALDH1A1 (0.40) NQO2NQO1ALDH1A1KDM4EHPGD
SCHEMBL9023686 0.74 HTT (0.34) NQO2NQO1KAT2BALDH1A1KDM4E

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
US-5079358-A Humans; leukemia KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-01-07 — — US 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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