SCHEMBL9024529

SCHEMBL9024529

COc1ccc2c(CN(CCCl)CCCl)nn3c4ccccc4c(=O)c1c23

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.34
▸ NQO2 P16083 3/20 0.34
▸ NQO1 P15559 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ DRD1 P21728 4/20 0.33
▸ DRD5 P21918 4/20 0.33
▸ P2RX4 Q99571 1/20 0.33
▸ G6PD P11413 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL9024129 0.91 ABCB1 (0.36) KDM1ANQO2NQO1L3MBTL1KMT2A
SCHEMBL9024240 0.85 KDM1A (0.38) KDM1ANQO2NQO1L3MBTL1KMT2A
SCHEMBL9024823 0.81 P2RX4 (0.36) NQO2NQO1ALDH1A1PARP1P2RX4
SCHEMBL9023281 0.80 KMT2A (0.36) NQO2KMT2AMEN1ALDH1A1GAA
SCHEMBL9025389 0.77 KDM1A (0.41) KDM1ANQO2NQO1L3MBTL1KMT2A
SCHEMBL9023722 0.76 TOP2A (0.38) KDM1ANQO2NQO1L3MBTL1PARP1
SCHEMBL9025049 0.75 G6PD (0.47) NQO2NQO1G6PD
SCHEMBL9023606 0.73 ALDH1A1 (0.34) NQO2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL9023557 0.73 MEN1 (0.34) KMT2AMEN1
SCHEMBL9024487 0.71 ABCB1 (0.42) NQO2NQO1ALDH1A1P2RX4G6PD

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