SCHEMBL22815228

SCHEMBL22815228

CNc1ccc(CCN(CCCN(CCCCN(CCCNC(=O)c2cccc(=O)n2O)C(=O)c2cccc(=O)n2O)C(=O)c2cccc(=O)n2O)C(=O)c2cccc(=O)n2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
IDH1 O75874 2/20 0.38
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TMEM97 Q5BJF2 3/20 0.35
SIGMAR1 Q99720 3/20 0.35
SLC6A5 Q9Y345 1/20 0.32
HDAC1 Q13547 5/20 0.32
HDAC3 O15379 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL25162219 0.90 MMP1 (0.40) MMP1MMP3MMP7MMP9MMP8
SCHEMBL24327263 0.89 MMP1 (0.39) MMP1MMP3MMP7MMP9MMP8
SCHEMBL26820254 0.87 MMP1 (0.38) MMP1MMP3MMP7MMP9MMP8
SCHEMBL22821674 0.86 MMP1 (0.32) MMP1MMP3MMP7MMP9MMP8
SCHEMBL13531452 0.85 IDH1 (0.50) MMP1MMP3MMP7MMP9MMP8
SCHEMBL21419451 0.83 MMP1 (0.39) MMP1MMP3MMP7MMP9MMP8
SCHEMBL21419450 0.83 MMP1 (0.39) MMP1MMP3MMP7MMP9MMP8
SCHEMBL24636658 0.83 IDH1 (0.43) MMP1MMP3MMP7MMP9MMP8
Hydrochloric Acid SCHEMBL21404876 0.79 MMP1 (0.36) MMP1MMP3MMP7MMP9MMP8
SCHEMBL24452602 0.77 IDH1 (0.41) MMP1MMP3MMP7MMP9MMP8

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-3983020-B1 AGENTS FOR CLEAVING LABELS FROM BIOMOLECULES IN VIVO TAGWORKS PHARMACEUTICALS B V (NL) 2024-06-26 EP disclosed
WO-2020256546-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE TAGWORKS PHARMACEUTICALS B.V. (NL) 2020-12-24 WO disclosed