SCHEMBL31504201

SCHEMBL31504201

COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccc(C#N)cn4)CC3)cc2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
PPARG P37231 2/20 0.51
GPR6 P46095 2/20 0.49
PANK3 Q9H999 4/20 0.49
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
RXFP1 Q9HBX9 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TP53 P04637 3/20 0.46
QSOX1 O00391 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 2/20 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
SCHEMBL22495342 1.00 MAPT (0.51) MAPTPPARGGPR6PANK3ALDH1A1
SCHEMBL22495405 0.90 MAPT (0.58) MAPTGPR6ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL21771104 0.85 RAB9A (0.62) MAPTPANK3ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL31504260 0.84 PANK3 (0.52) MAPTPPARGGPR6PANK3ALDH1A1
SCHEMBL22495282 0.84 PANK3 (0.52) MAPTPPARGGPR6PANK3ALDH1A1
SCHEMBL31504183 0.83 LMNA (0.54) MAPTALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL22495244 0.83 LMNA (0.54) MAPTALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL22495190 0.82 RAB9A (0.53) MAPTPPARGPANK3ALDH1A1SMN1; SMN2
SCHEMBL22495214 0.79 RAB9A (0.64) MAPTPPARGPANK3ALDH1A1SMN1; SMN2
SCHEMBL30172115 0.79 MAPT (0.54) MAPTPPARGPANK3ALDH1A1L3MBTL1

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-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 EP claimed