SCHEMBL29576972

SCHEMBL29576972

Clc1ccc(CN(Cc2ccc(Br)cc2)c2ccoc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.36
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
CTSK P43235 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL29576693 0.87 ESR1 (0.34) GAAMAPTL3MBTL1KDM4E
SCHEMBL29577461 0.87 CTSL (0.36) GBA1GAAMAPTL3MBTL1KDM4E
SCHEMBL29578315 0.84 PDE2A (0.38) GAAMAPT
SCHEMBL29577530 0.83 IDO1 (0.36) GBA1CYP1A2
SCHEMBL29576840 0.83 GBA1 (0.39) GBA1GAAMAPTL3MBTL1KDM4E
SCHEMBL29576826 0.82 GAA (0.32) GAAMAPTL3MBTL1KDM4E
SCHEMBL29577376 0.81 GAA (0.32) GAAMAPTL3MBTL1KDM4ELMNA
SCHEMBL29578303 0.81 NAMPT (0.36) GAAMAPTL3MBTL1KDM4ELMNA
SCHEMBL29577028 0.81 LTC4S (0.36) GAAMAPTL3MBTL1KDM4E
SCHEMBL29577153 0.81 CTSL (0.35) GAAMAPTL3MBTL1KDM4E

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
CN-108558841-B 4- (N, N-disubstituted) furan-2 (5H) -ketone derivative, preparation method and application thereof 贵州大学 2022-04-12 CN claimed