SCHEMBL23280438

SCHEMBL23280438

CCCCCc1ccccc1CNC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.52
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
TLR8 Q9NR97 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40

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
SCHEMBL8857520 0.94 CYP3A4 (0.45) LIPGSLC6A2SLC6A4SLC6A3TLR8
SCHEMBL9512782 0.85 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3MCL1CYP3A4
Water SCHEMBL28085363 0.85 LIPG (0.67) LIPGNR1H2NR1H3ALOX5PTGS2
Iodide SCHEMBL29040645 0.85 LIPG (0.67) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL30037094 0.85 LIPG (0.65) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL82794 0.85 LIPG (0.65) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL8085404 0.83 LIPG (0.59) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL1343771 0.83 LIPG (0.69) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL2511612 0.83 LIPG (0.69) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL15809821 0.83 LIPG (0.69) LIPGNR1H2NR1H3ALOX5PTGS2

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
EP-3189041-B1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-04-28 EP disclosed