SCHEMBL25721073

SCHEMBL25721073

CN(C)c1ccc(/C=C/c2nc3cc(F)ccc3[nH]c2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.60
▸ RAB9A P51151 8/20 0.60
▸ MAPT P10636 8/20 0.60
▸ KMT2A Q03164 7/20 0.60
▸ MEN1 O00255 6/20 0.60
▸ KDM4E B2RXH2 5/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ APP P05067 4/20 0.49
▸ TDP1 Q9NUW8 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ TCF4 P15884 1/20 0.46
▸ CTNNB1 P35222 1/20 0.46
▸ KLF5 Q13887 1/20 0.46
▸ PDGFRB P09619 1/20 0.40
▸ INSR P06213 1/20 0.40
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39

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
SCHEMBL25721116 0.84 MEN1 (0.53) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL24701466 0.83 RAB9A (0.72) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL28472852 0.82 NPC1 (0.52) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL6311016 0.75 NPC1 (0.66) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL6311013 0.75 NPC1 (0.66) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL29506637 0.74 TCF4 (0.79) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL18712778 0.74 TCF4 (0.79) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL6482368 0.70 MAPT (0.46) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL6307248 0.69 KDM4E (0.68) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL6307247 0.69 KDM4E (0.68) NPC1RAB9AMAPTKMT2AMEN1

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-2023104148-A1 SMALL MOLECULE PROBE BINDING TO α-SYNUCLEIN AGGREGATE AND APPLICATION THEREOF 复旦大学 2023-06-15 — — WO disclosed
Send feedback