SCHEMBL23637428

SCHEMBL23637428

c1ccc2c(c1)oc1cccc(Nc3cccc4sc5ccccc5c34)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.39
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 5/20 0.35
MAOA P21397 3/20 0.35
HPGD P15428 3/20 0.35
GLA P06280 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
PGAM1 P18669 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
IDO1 P14902 2/20 0.35
TDO2 P48775 1/20 0.35
CDC14B O60729 1/20 0.34
CDC14A Q9UNH5 1/20 0.34
DUSP3 P51452 2/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL25636198 0.87 ALDH1A1 (0.37) GPR3ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL26634501 0.86 PLA2G2A (0.40) GPR3ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL27382731 0.85 MAPT (0.46) ALDH1A1SMN1; SMN2LMNAMAPTMAOA
SCHEMBL20181893 0.83 MAPT (0.45) ALDH1A1SMN1; SMN2LMNAMAPTMAOA
SCHEMBL25898950 0.81 ALDH1A1 (0.40) GPR3ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL25636184 0.81 PTGIR (0.45) GPR3ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL23891384 0.80 PARP14 (0.52) GPR3ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL13935962 0.80 GPR3 (0.45) GPR3ALDH1A1SMN1; SMN2MAPTMAOA
SCHEMBL23891326 0.80 ALOX5 (0.38) GPR3ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL22189174 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTMAOA

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-2021141356-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-07-15 WO disclosed