SCHEMBL27342240

SCHEMBL27342240

COc1cc(-c2nc3c(c(=O)[nH]c(=O)n3CC(C)O)n2C)ccc1OCc1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.55
▸ KDM4E B2RXH2 6/20 0.55
▸ POLB P06746 1/20 0.55
▸ XBP1 P17861 2/20 0.50
▸ KMT2A Q03164 10/20 0.49
▸ HPGD P15428 3/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ MEN1 O00255 9/20 0.47
▸ MAPT P10636 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL27342246 0.94 KDM4E (0.55) ALDH1A1KDM4EPOLBXBP1KMT2A
SCHEMBL27341196 0.94 KMT2A (0.56) ALDH1A1KDM4EPOLBXBP1KMT2A
SCHEMBL31065369 0.94 KMT2A (0.56) ALDH1A1KDM4EPOLBXBP1KMT2A
SCHEMBL27341331 0.94 KMT2A (0.56) ALDH1A1KDM4EPOLBXBP1KMT2A
SCHEMBL27341472 0.94 KMT2A (0.56) ALDH1A1KDM4EPOLBXBP1KMT2A
SCHEMBL27341859 0.92 KDM4E (0.53) ALDH1A1KDM4EPOLBXBP1KMT2A
SCHEMBL27341966 0.92 KDM4E (0.54) ALDH1A1KDM4EPOLBXBP1KMT2A
SCHEMBL27341862 0.91 KDM4E (0.52) ALDH1A1KDM4EPOLBXBP1KMT2A
SCHEMBL31034749 0.91 KDM4E (0.52) ALDH1A1KDM4EPOLBXBP1KMT2A
SCHEMBL27342242 0.91 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBXBP1KMT2A

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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