SCHEMBL9024487

SCHEMBL9024487

O=c1c2ccccc2n2nc(CN(CCO)CCO)c3cccc1c32

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 3/20 0.42
▸ KDM4E B2RXH2 4/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NQO1 P15559 2/20 0.35
▸ NQO2 P16083 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ P2RX4 Q99571 3/20 0.35
▸ SLC6A4 P31645 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ G6PD P11413 1/20 0.33

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
SCHEMBL9024823 0.89 P2RX4 (0.36) ABCB1KDM4ENQO1NQO2GLA
SCHEMBL9025049 0.85 G6PD (0.47) ABCB1KDM4ETSHRNQO1NQO2
SCHEMBL9024129 0.81 ABCB1 (0.36) ABCB1NQO1NQO2ALDH1A1SMN1; SMN2
SCHEMBL9025088 0.80 ALDH1A1 (0.40) KDM4ENQO1NQO2GLAP2RX4
SCHEMBL2725699 0.78 NQO1 (0.39) KDM4ETSHRNQO1NQO2GLA
SCHEMBL9023281 0.74 KMT2A (0.36) ABCB1KDM4ENQO2GLAALDH1A1
SCHEMBL9738372 0.72 NQO2 (0.46) KDM4ENQO1NQO2ALDH1A1
SCHEMBL9023557 0.72 MEN1 (0.34) SMN1; SMN2
SCHEMBL9024529 0.71 KDM1A (0.34) NQO1NQO2P2RX4ALDH1A1G6PD
SCHEMBL9036810 0.70 NQO2 (0.36) NQO1NQO2

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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