SCHEMBL9023520

SCHEMBL9023520

CCN(CC)CCNCc1nn2c3ccccc3c(=O)c3c(NCCN(CC)CC)ccc1c32

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 16/20 0.60
▸ NQO1 P15559 5/20 0.51
▸ CHRM2 P08172 2/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ ADRA2A P08913 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ CHRM1 P11229 2/20 0.46
▸ TBXA2R P21731 2/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ APEX1 P27695 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ ADRA1A P35348 2/20 0.46
▸ OPRM1 P35372 2/20 0.46
▸ DRD3 P35462 2/20 0.46
▸ SLC6A3 Q01959 2/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.46
▸ APP P05067 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ MAOA P21397 1/20 0.46

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
SCHEMBL9024826 0.90 NQO2 (0.63) NQO2NQO1
SCHEMBL9024920 0.86 NQO2 (0.47) NQO2NQO1MAPTKMT2A
SCHEMBL9739746 0.85 NQO2 (0.59) NQO2NQO1
SCHEMBL9024106 0.84 NQO2 (0.47) NQO2NQO1
SCHEMBL9024703 0.83 NQO2 (0.48) NQO2NQO1
SCHEMBL9023946 0.83 NQO2 (0.42) NQO2NQO1TOP2ATOP2B
SCHEMBL9024401 0.82 NQO2 (0.48) NQO2NQO1
SCHEMBL9024299 0.81 NQO2 (0.49) NQO2NQO1
SCHEMBL9737559 0.81 NQO2 (0.54) NQO2NQO1
SCHEMBL9024179 0.80 NQO2 (0.48) 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 3 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
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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