SCHEMBL27344138

SCHEMBL27344138

COc1ccc(C(C)Oc2ccc(-c3nc4c(c(=O)[nH]c(=O)n4CC(C)O)n3C)cc2OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.52
▸ ALDH1A1 P00352 7/20 0.52
▸ HPGD P15428 6/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.52
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ KMT2A Q03164 11/20 0.47
▸ MEN1 O00255 10/20 0.47
▸ XBP1 P17861 2/20 0.46
▸ HTT P42858 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MAPK1 P28482 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
SCHEMBL27344227 0.92 ALDH1A1 (0.51) KDM4EALDH1A1HPGDNPSR1POLB
SCHEMBL27344137 0.92 ALDH1A1 (0.51) KDM4EALDH1A1HPGDNPSR1POLB
SCHEMBL27342246 0.87 KDM4E (0.55) KDM4EALDH1A1HPGDNPSR1POLB
SCHEMBL27344630 0.84 KDM4E (0.50) KDM4EALDH1A1HPGDNPSR1POLB
SCHEMBL27344134 0.83 ALDH1A1 (0.44) KDM4EALDH1A1HPGDNPSR1POLB
SCHEMBL27344226 0.82 ALDH1A1 (0.47) KDM4EALDH1A1HPGDNPSR1POLB
SCHEMBL31034748 0.82 KDM4E (0.49) KDM4EALDH1A1HPGDNPSR1POLB
SCHEMBL27342946 0.82 KDM4E (0.49) KDM4EALDH1A1HPGDNPSR1POLB
SCHEMBL31065369 0.81 KMT2A (0.56) KDM4EALDH1A1HPGDNPSR1POLB
SCHEMBL27341196 0.81 KMT2A (0.56) KDM4EALDH1A1HPGDNPSR1POLB

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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