SCHEMBL27341862

SCHEMBL27341862

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.52
▸ ALDH1A1 P00352 9/20 0.52
▸ HPGD P15428 5/20 0.52
▸ POLB P06746 1/20 0.52
▸ XBP1 P17861 2/20 0.47
▸ PKM P14618 1/20 0.46
▸ KMT2A Q03164 9/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MEN1 O00255 8/20 0.45
▸ MAPT P10636 3/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ UBE2N P61088 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL31034749 1.00 KDM4E (0.52) KDM4EALDH1A1HPGDPOLBXBP1
SCHEMBL27342240 0.91 ALDH1A1 (0.55) KDM4EALDH1A1HPGDPOLBXBP1
SCHEMBL27342246 0.90 KDM4E (0.55) KDM4EALDH1A1HPGDPOLBXBP1
SCHEMBL27341331 0.90 KMT2A (0.56) KDM4EALDH1A1HPGDPOLBXBP1
SCHEMBL27341472 0.90 KMT2A (0.56) KDM4EALDH1A1HPGDPOLBXBP1
SCHEMBL27341196 0.90 KMT2A (0.56) KDM4EALDH1A1HPGDPOLBXBP1
SCHEMBL31065369 0.90 KMT2A (0.56) KDM4EALDH1A1HPGDPOLBXBP1
SCHEMBL27341859 0.88 KDM4E (0.53) KDM4EALDH1A1HPGDPOLBXBP1
SCHEMBL27342242 0.87 ALDH1A1 (0.53) KDM4EALDH1A1HPGDPOLBXBP1
SCHEMBL27341857 0.87 ALDH1A1 (0.53) KDM4EALDH1A1HPGDPOLBXBP1

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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