SCHEMBL25515348

SCHEMBL25515348

O=C(CBr)c1ccc2ccccn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.42
GSK3B P49841 6/20 0.42
L3MBTL1 Q9Y468 3/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
BAZ2B Q9UIF8 2/20 0.32
BAZ2A Q9UIF9 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
BRD4 O60885 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL6248007 0.82 L3MBTL1 (0.40) L3MBTL1HTTATMALDH1A1GAA
SCHEMBL31183044 0.82 PTGS2 (0.35) L3MBTL1HTTATMALDH1A1TDP1
SCHEMBL25515352 0.78 MAPT (0.36) L3MBTL1HTTATMALDH1A1TDP1
SCHEMBL6276005 0.77 HSD17B3 (0.40) L3MBTL1HTTATMALDH1A1MAPT
SCHEMBL9102928 0.76 BAZ2B (0.39) L3MBTL1HTTATMALDH1A1TDP1
SCHEMBL6535007 0.75 ALDH1A1 (0.45) L3MBTL1ALDH1A1TDP1GAAMAPT
SCHEMBL28070421 0.74 BAZ2B (0.38) L3MBTL1HTTATMALDH1A1TDP1
SCHEMBL1646369 0.73 L3MBTL1 (0.35) L3MBTL1HTTATMALDH1A1MAPT
SCHEMBL29206234 0.73 ALDH1A1 (0.41) L3MBTL1HTTATMALDH1A1TDP1
SCHEMBL8122403 0.72 HTT (0.45) L3MBTL1HTTATMALDH1A1GAA

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-2023081306-A1 INDOLIZINE COMPOUNDS FOR THE TREATMENT OF MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-05-11 WO disclosed