SCHEMBL9024823

SCHEMBL9024823

O=c1c2ccccc2n2nc(CN(CCCl)CCCl)c3cccc1c32

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 4/20 0.36
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.33
▸ GLA P06280 2/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ABCB1 P08183 2/20 0.32
▸ CDC25A P30304 1/20 0.32
▸ CDC25B P30305 1/20 0.32
▸ G6PD P11413 1/20 0.32
▸ CYP1A2 P05177 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
SCHEMBL9024487 0.89 ABCB1 (0.42) P2RX4SLC6A4SLC6A2HRH1ALDH1A1
SCHEMBL9024529 0.81 KDM1A (0.34) P2RX4ALDH1A1NQO1NQO2G6PD
SCHEMBL9025088 0.81 ALDH1A1 (0.40) P2RX4SLC6A4SLC6A2HRH1ALDH1A1
SCHEMBL9025049 0.74 G6PD (0.47) KDM4ENQO1NQO2ABCB1G6PD
SCHEMBL9738372 0.73 NQO2 (0.46) ALDH1A1KDM4ENQO1NQO2HPGD
SCHEMBL9024129 0.71 ABCB1 (0.36) ALDH1A1NQO1NQO2ABCB1G6PD
SCHEMBL2725699 0.71 NQO1 (0.39) P2RX4ALDH1A1KDM4EGLANQO1
SCHEMBL9025371 0.70 CYP1A2 (0.44) P2RX4ALDH1A1KDM4EGLANPSR1
SCHEMBL9023887 0.70 GLA (0.47) P2RX4ALDH1A1KDM4EGLANPSR1
SCHEMBL7673281 0.68 CA12 (0.42) P2RX4ALDH1A1KDM4ENQO1NQO2

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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