SCHEMBL31065369

SCHEMBL31065369

COc1cc(-c2nc3c(c(=O)[nH]c(=O)n3CC(C)O)n2C)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.56
▸ ALDH1A1 P00352 7/20 0.56
▸ HPGD P15428 4/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ XBP1 P17861 2/20 0.56
▸ KDM4E B2RXH2 7/20 0.56
▸ POLB P06746 1/20 0.56
▸ MEN1 O00255 8/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ MAPT P10636 3/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTT P42858 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL27341472 1.00 KMT2A (0.56) KMT2AALDH1A1HPGDNPSR1XBP1
SCHEMBL27341331 1.00 KMT2A (0.56) KMT2AALDH1A1HPGDNPSR1XBP1
SCHEMBL27341196 1.00 KMT2A (0.56) KMT2AALDH1A1HPGDNPSR1XBP1
SCHEMBL27342240 0.94 ALDH1A1 (0.55) KMT2AALDH1A1HPGDNPSR1XBP1
SCHEMBL27342246 0.93 KDM4E (0.55) KMT2AALDH1A1HPGDNPSR1XBP1
SCHEMBL27342235 0.92 ALDH1A1 (0.59) KMT2AALDH1A1HPGDNPSR1XBP1
SCHEMBL27341330 0.92 ALDH1A1 (0.57) KMT2AALDH1A1HPGDNPSR1XBP1
SCHEMBL27341325 0.92 KMT2A (0.55) KMT2AALDH1A1HPGDNPSR1XBP1
SCHEMBL27341327 0.92 KMT2A (0.55) KMT2AALDH1A1HPGDNPSR1XBP1
SCHEMBL27341859 0.91 KDM4E (0.53) KMT2AALDH1A1HPGDNPSR1XBP1

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-4602044-A1 SUBSTITUTED 3,7-DIHYDRO-1 H-PURINE-2,6-DIONES AND USE THEREOF invIOs GmbH (AT) 2025-08-20 — — EP disclosed
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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