SCHEMBL29336355

SCHEMBL29336355

COc1ccc(NCc2ccc(F)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
GAA P10253 4/20 0.70
RAB9A P51151 3/20 0.70
L3MBTL1 Q9Y468 3/20 0.70
NPC1 O15118 2/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
ATM Q13315 1/20 0.61
KDM4E B2RXH2 2/20 0.61
LMNA P02545 1/20 0.61
ALDH1A1 P00352 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
FFAR1 O14842 1/20 0.59
HIF1A Q16665 1/20 0.57

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
SCHEMBL10055019 0.91 MAPT (0.82) MAPTGAARAB9AL3MBTL1NPC1
SCHEMBL1844199 0.91 MAPT (0.82) MAPTGAARAB9AL3MBTL1NPC1
SCHEMBL5669873 0.91 MAPT (0.82) MAPTGAARAB9AL3MBTL1NPC1
SCHEMBL25074068 0.86 MAPT (0.53) MAPTGAARAB9AL3MBTL1NPC1
SCHEMBL22783768 0.85 MAPT (0.74) MAPTGAARAB9AL3MBTL1NPC1
SCHEMBL10055033 0.84 LMNA (0.61) MAPTGAAL3MBTL1MEN1KMT2A
SCHEMBL6419238 0.84 LMNA (0.61) MAPTGAAL3MBTL1MEN1KMT2A
SCHEMBL8345852 0.84 MAPT (0.72) MAPTGAARAB9AL3MBTL1NPC1
SCHEMBL8348682 0.84 MAPT (0.72) MAPTGAARAB9AL3MBTL1NPC1
SCHEMBL169696 0.84 MAPT (0.72) MAPTGAARAB9AL3MBTL1NPC1

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-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 EP disclosed