SCHEMBL29851908

SCHEMBL29851908

COC(=O)c1cc2nc(C3CCC(O)CC3)sc2cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 11/20 0.41
DCUN1D1 Q96GG9 11/20 0.41
LMNA P02545 5/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.37
TP53 P04637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSP90AA1 P07900 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
AHR P35869 1/20 0.34

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
SCHEMBL23539459 1.00 UBE2M (0.41) UBE2MDCUN1D1LMNAPOLBMAPK1
SCHEMBL25732384 0.91 UBE2M (0.39) UBE2MDCUN1D1LMNAPOLBMAPK1
SCHEMBL25732778 0.89 NPC1 (0.42) UBE2MDCUN1D1LMNAPOLBMAPK1
SCHEMBL29851886 0.88 MAPT (0.37) UBE2MDCUN1D1LMNAPOLBMAPK1
SCHEMBL23568471 0.88 MAPT (0.37) UBE2MDCUN1D1LMNAPOLBMAPK1
SCHEMBL23536221 0.88 MAPT (0.37) UBE2MDCUN1D1LMNAPOLBMAPK1
SCHEMBL25726420 0.88 MAPT (0.39) UBE2MDCUN1D1LMNAPOLBMAPK1
SCHEMBL23539202 0.85 UBE2M (0.44) UBE2MDCUN1D1LMNAPOLBMAPK1
SCHEMBL25726365 0.82 MAPT (0.36) UBE2MDCUN1D1LMNAPOLBMAPK1
SCHEMBL29852026 0.80 MAPT (0.39) UBE2MDCUN1D1LMNAPOLBMAPK1

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
CN-115052627-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2022-09-13 CN disclosed