SCHEMBL30239335

SCHEMBL30239335

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)N(CCCCCCOCCOCCNC(=O)OCc1ccccc1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 4/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.40
▸ PI4KA P42356 1/20 0.39
▸ PI4K2B Q8TCG2 1/20 0.39
▸ PI4K2A Q9BTU6 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ WDR5 P61964 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RBBP5 Q15291 1/20 0.37
▸ DPY30 Q9C005 1/20 0.37
▸ ASH2L Q9UBL3 1/20 0.37
▸ AMD1 P17707 1/20 0.37
▸ P2RX1 P51575 1/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ P2RX4 Q99571 1/20 0.37
▸ AHCY P23526 1/20 0.37
▸ PLA2G2A P14555 1/20 0.36
▸ PRKACA P17612 1/20 0.36

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
SCHEMBL31533318 0.94 DOT1L (0.48) DOT1LRXFP1PI4KAPI4K2BPI4K2A
SCHEMBL30239003 0.92 RXFP1 (0.43) DOT1LRXFP1PI4KAPI4K2BPI4K2A
SCHEMBL31533320 0.88 DOT1L (0.47) DOT1LRXFP1PI4KAPI4K2BPI4K2A
SCHEMBL30239396 0.87 DOT1L (0.57) DOT1LRXFP1PI4KAPI4K2BPI4K2A
SCHEMBL30238891 0.86 DOT1L (0.47) DOT1LRXFP1PI4KAPI4K2BPI4K2A
SCHEMBL30239294 0.84 RXFP1 (0.43) DOT1LRXFP1PI4KAPI4K2BPI4K2A
SCHEMBL31533319 0.84 RXFP1 (0.43) DOT1LRXFP1PI4KAPI4K2BPI4K2A
SCHEMBL30239717 0.83 DOT1L (0.50) DOT1LRXFP1PI4KAPI4K2BPI4K2A
SCHEMBL30239308 0.82 HTRA2 (0.41) DOT1L
SCHEMBL31001611 0.82 DOT1L (0.48) DOT1LRXFP1PI4KAPI4K2BPI4K2A

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-4374157-A2 FRET-BASED ASSAYS The General Hospital Corporation (US) 2024-05-29 — — EP disclosed
WO-2023004438-A2 FRET-BASED ASSAYS THE GENERAL HOSPITAL CORPORATION (US) 2023-01-26 — — WO disclosed
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