SCHEMBL27344134

SCHEMBL27344134

CC(O)Cn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC(C)c3ccccc3)c(OC(F)(F)F)c1)n2C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.44
▸ KDM4E B2RXH2 7/20 0.44
▸ HPGD P15428 4/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ XBP1 P17861 2/20 0.44
▸ KMT2A Q03164 7/20 0.43
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 2/20 0.42
▸ MEN1 O00255 6/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ ALOX12 P18054 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL27344035 0.93 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDNPSR1XBP1
SCHEMBL27344034 0.93 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDNPSR1XBP1
SCHEMBL27344033 0.93 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDNPSR1XBP1
SCHEMBL27344137 0.90 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDNPSR1XBP1
SCHEMBL27344227 0.90 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDNPSR1XBP1
SCHEMBL27343031 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDNPSR1XBP1
SCHEMBL27344226 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDNPSR1XBP1
SCHEMBL31065366 0.88 KMT2A (0.53) ALDH1A1KDM4EHPGDNPSR1XBP1
SCHEMBL31065372 0.88 KMT2A (0.53) ALDH1A1KDM4EHPGDNPSR1XBP1
SCHEMBL27343957 0.87 KDM4E (0.42) ALDH1A1KDM4EHPGDNPSR1XBP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024133605-A1 SUBSTITUTED 3,7-DIHYDRO-1 H-PURINE-2,6-DIONES AND USE THEREOF INVIOS GMBH (AT) 2024-06-27 — — WO disclosed
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