SCHEMBL9023686

SCHEMBL9023686

COc1cccc2c1c(=O)c1c(Br)ccc3c(CNCCN(C)C)nn2c31

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.34
▸ NQO2 P16083 8/20 0.33
▸ NQO1 P15559 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ HTR6 P50406 2/20 0.32
▸ KAT2B Q92831 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PABPC1 P11940 1/20 0.31
▸ TOP2A P11388 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 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
SCHEMBL9025537 0.89 TOP2A (0.36) TOP2AHTR2AHTR2C
SCHEMBL9032596 0.88 NQO2 (0.46) NQO2NQO1
SCHEMBL9023748 0.83 NQO2 (0.40) NQO2NQO1
SCHEMBL9024132 0.82 ALDH1A1 (0.33) HTTKDM4EALDH1A1HPGDKMT2A
SCHEMBL9024054 0.81 TOP2A (0.38) HTTNQO2KDM4EALDH1A1HPGD
SCHEMBL9023557 0.80 MEN1 (0.34) KMT2AMEN1
SCHEMBL9025183 0.77 NQO2 (0.38) NQO2NQO1TOP2A
SCHEMBL8543080 0.77 MAPT (0.35) HTTNQO2KDM4EALDH1A1HPGD
SCHEMBL9025524 0.76 TOP2A (0.38) NQO2NQO1TOP2A
SCHEMBL9024397 0.76 TOP2A (0.40) NQO2NQO1TOP2A

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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