SCHEMBL31290117

SCHEMBL31290117

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
ADORA2A P29274 3/20 0.52
ADORA1 P30542 3/20 0.52
ADORA3 P0DMS8 2/20 0.52
ADORA2B P29275 2/20 0.52
TSHR P16473 2/20 0.52
ALOX15 P16050 1/20 0.52
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
POLB P06746 1/20 0.46
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
NTSR1 P30989 1/20 0.44

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
SCHEMBL24689432 1.00 L3MBTL1 (0.52) L3MBTL1GPR55ADORA2AADORA1ADORA3
SCHEMBL17720962 0.98 ADORA2A (0.50) L3MBTL1GPR55ADORA2AADORA1ADORA3
SCHEMBL21037520 0.98 ADORA2A (0.50) L3MBTL1GPR55ADORA2AADORA1ADORA3
SCHEMBL12854006 0.98 L3MBTL1 (0.54) L3MBTL1GPR55ADORA2AADORA1ADORA3
SCHEMBL17720964 0.98 L3MBTL1 (0.54) L3MBTL1GPR55ADORA2AADORA1ADORA3
SCHEMBL27455503 0.95 L3MBTL1 (0.52) L3MBTL1GPR55ADORA2AADORA1ADORA3
SCHEMBL17720965 0.95 L3MBTL1 (0.52) L3MBTL1GPR55ADORA2AADORA1ADORA3
SCHEMBL2883216 0.95 L3MBTL1 (0.52) L3MBTL1GPR55ADORA2AADORA1ADORA3
SCHEMBL21922946 0.95 L3MBTL1 (0.56) L3MBTL1GPR55ADORA2AADORA1ADORA3
SCHEMBL24689403 0.95 L3MBTL1 (0.56) L3MBTL1GPR55ADORA2AADORA1ADORA3

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-4472385-A1 ORGANIC LIGHT EMITTING DEVICE AND DISPLAY DEVICE COMPRISING THE SAME Novaled GmbH (DE) 2024-12-04 EP disclosed