SCHEMBL29167237

SCHEMBL29167237

CCCCCC(C(=O)OCC)n1ccc2cc(C#N)ccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.38
CTSG P08311 3/20 0.36
CMA1 P23946 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MGLL Q99685 2/20 0.34
SLC6A3 Q01959 1/20 0.34
NPY5R Q15761 1/20 0.34
CHRNA7 P36544 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 1/20 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
SCHEMBL29167254 0.84 MAPT (0.34) MAPTTDP1LMNATSHRSMN1; SMN2
SCHEMBL7017667 0.81 PPARG (0.38) MAPTTDP1LMNA
SCHEMBL29167217 0.80 PLA2G4A (0.35) CTSGCMA1MAPTTDP1MGLL
SCHEMBL4463193 0.76 GAA (0.40) MAPTSLC6A3LMNATSHRSMN1; SMN2
SCHEMBL860935 0.73 SRD5A2 (0.47) LMNA
SCHEMBL7507457 0.72 CDC7 (0.39) FFAR4NPY5R
SCHEMBL2470686 0.71 MAPT (0.48) FFAR4MAPTTDP1NPY5RPDCD1
SCHEMBL7367610 0.70 FFAR4 (0.41) FFAR4NPY5RTSHR
SCHEMBL403709 0.69 TNF (0.49) FFAR4MAPTTDP1NPY5R
SCHEMBL29167160 0.69 FFAR4 (0.43) FFAR4MGLLNPY5RCHRNA7TSHR

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-116082216-A 3-aryl indole KDM1A/HDACs double-target inhibitor, and preparation method and application thereof 阜外华中心血管病医院 2023-05-09 CN disclosed