SCHEMBL31184625

SCHEMBL31184625

COc1ccc(NC(=O)C2CCC(NC(=O)OC(C)(C)C)CC2)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ HPGD P15428 2/20 0.44
▸ MALT1 Q9UDY8 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ HTR1A P08908 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ PTPN2 P17706 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PTPN6 P29350 1/20 0.42
▸ NPC1 O15118 1/20 0.42

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
SCHEMBL28509012 0.86 POLB (0.50) POLBSMN1; SMN2LMNAHTTHPGD
SCHEMBL31184543 0.86 POLB (0.50) POLBSMN1; SMN2LMNAHTTHPGD
SCHEMBL28509010 0.86 POLB (0.50) POLBSMN1; SMN2LMNAHTTHPGD
SCHEMBL29619023 0.85 POLB (0.64) POLBSMN1; SMN2LMNAHTTHPGD
SCHEMBL31184825 0.85 ALDH1A1 (0.52) POLBSMN1; SMN2LMNAHTTHPGD
SCHEMBL31184662 0.81 POLB (0.47) POLBSMN1; SMN2LMNAHTTHPGD
SCHEMBL31185020 0.81 POLB (0.47) POLBSMN1; SMN2LMNAHTTHPGD
SCHEMBL31679547 0.80 ALDH1A1 (0.56) POLBSMN1; SMN2LMNAMEN1ALOX12
SCHEMBL8708428 0.80 ALDH1A1 (0.56) POLBSMN1; SMN2LMNAMEN1ALOX12
SCHEMBL6154728 0.77 PTPN2 (0.49) LMNAHPGDMEN1KMT2APTPN2

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-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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