SCHEMBL29025640

SCHEMBL29025640

NC(=O)OCCCC(N)c1ncc(Cl)o1.c1cc2ccc1-2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAP4K4 O95819 2/20 0.32
FAAH O00519 2/20 0.31
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL29025669 0.85 MAP4K4 (0.47) LMNAALDH1A1MAPTTDP1MAP4K4
SCHEMBL29025672 0.85 MAP4K4 (0.47) LMNAALDH1A1MAPTTDP1MAP4K4
SCHEMBL29025524 0.80 LMNA (0.44) LMNAALDH1A1FAAHCYP1A2
SCHEMBL29025526 0.80 LMNA (0.44) LMNAALDH1A1FAAHCYP1A2
SCHEMBL29025543 0.70 ALDH1A1 (0.44) LMNAALDH1A1MAPTTDP1FAAH
SCHEMBL29025546 0.70 ALDH1A1 (0.44) LMNAALDH1A1MAPTTDP1FAAH
SCHEMBL10324369 0.66 LMNA (0.56) LMNATDP1CYP1A2
SCHEMBL31121750 0.65 HDAC6 (0.40) LMNA
SCHEMBL10324410 0.62 LMNA (0.54) LMNATDP1CYP1A2
SCHEMBL14876888 0.61 CHRNB2 (0.45) LMNAALDH1A1CYP1A2

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-116367832-A Substituted heteroaryl compounds and uses thereof 苏州华明道康生物医药有限公司 2023-06-30 CN disclosed