SCHEMBL28892276

SCHEMBL28892276

N#Cc1cccc(CN(Cc2ccc(Cl)nc2)C2=CC(=O)OC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.41
MEP1A Q16819 1/20 0.35
MEP1B Q16820 1/20 0.35
VNN1 O95497 3/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GRM5 P41594 1/20 0.34
CLPP Q16740 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
NR3C1 P04150 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.33
POLB P06746 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
SCHEMBL29577320 1.00 CTSL (0.41) CTSLMEP1AMEP1BVNN1SLC6A2
SCHEMBL28892329 0.89 AR (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28892309 0.86 KDM1A (0.35) MAOB
SCHEMBL28892263 0.85 CTSL (0.36) CTSLMAOAMAOB
SCHEMBL3025243 0.84 L3MBTL1 (0.42) MAOAMAOB
SCHEMBL28892340 0.83 CTSL (0.37) CTSL
SCHEMBL16585723 0.82 CHRNA7 (0.34)
SCHEMBL28892248 0.82 GBA1 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL28892291 0.81 TSHR (0.38) POLB
SCHEMBL28892266 0.80 MDM2 (0.34) CTSLPSEN1PSEN2APH1BNCSTN

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 2 patents. 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
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 disclosed