SCHEMBL9024672

SCHEMBL9024672

CN(C)CCOC(=O)c1nn2c3ccccc3c(=O)c3cccc1c32

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ ELANE P08246 10/20 0.42
▸ F2 P00734 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ POLR1A O95602 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ KAT2B Q92831 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 0.80 KDM4E (0.51) ALDH1A1HPGDPARP1POLR1AKDM4E
SCHEMBL9023887 0.75 GLA (0.47) ALDH1A1HPGDKDM4E
SCHEMBL9738372 0.70 NQO2 (0.46) ALDH1A1HPGDPARP1KDM4EKAT2B
SCHEMBL9025070 0.68 ALDH1A1 (0.43) ALDH1A1HPGDKDM4ERXFP1
SCHEMBL9025371 0.68 CYP1A2 (0.44) ALDH1A1ELANEHPGDPARP1KDM4E
SCHEMBL11380003 0.67 HTR1B (0.52) ALDH1A1HPGDKDM4EKAT2B
SCHEMBL9024487 0.66 ABCB1 (0.42) ALDH1A1KDM4E
SCHEMBL9025088 0.65 ALDH1A1 (0.40) ALDH1A1HPGDPARP1KDM4E
SCHEMBL9024823 0.65 P2RX4 (0.36) ALDH1A1HPGDPARP1KDM4E
SCHEMBL28245601 0.64 ALDH1A1 (0.63) ALDH1A1POLR1A

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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