SCHEMBL9025070

SCHEMBL9025070

COc1cccc2c1c(=O)c1cccc3c(C(=O)NCCN(C)C)nn2c31

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ RAD52 P43351 4/20 0.41
▸ SMARCA2 P51531 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ UHRF1 Q96T88 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HTR3A P46098 1/20 0.38

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
SCHEMBL9024060 0.85 KDM4E (0.51) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL9024540 0.80 KMT2A (0.45) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL9023686 0.69 HTT (0.34) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL9032596 0.69 NQO2 (0.46) RAD52SMARCA2NQO1NQO2
SCHEMBL9024672 0.68 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ERXFP1
SCHEMBL9024039 0.68 NQO2 (0.43) RAD52SMARCA2NQO1NQO2
SCHEMBL9023748 0.66 NQO2 (0.40) NQO1NQO2
SCHEMBL9024980 0.66 NQO2 (0.43) RAD52NQO1NQO2
SCHEMBL3362006 0.65 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL9738372 0.63 NQO2 (0.46) ALDH1A1HPGDKDM4EHSD17B10NQO1

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