SCHEMBL11029644

SCHEMBL11029644

CC(C)CC(=O)C(C#N)c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
EEF2K O00418 1/20 0.40
CTSL P07711 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6049469 0.80 ALDH1A1 (0.47) LMNATP53HTTEEF2KMEN1
SCHEMBL9214178 0.79 LMNA (0.45) LMNATP53HTTEEF2KMEN1
SCHEMBL11218472 0.77 TDP1 (0.41) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL5729690 0.74 MAPT (0.41) LMNATP53HTTEEF2KMEN1
SCHEMBL11857458 0.71 LMNA (0.49) LMNATP53HTTCTSLALDH1A1
SCHEMBL9213048 0.70 GAA (0.43) LMNATP53HTTMEN1KMT2A
SCHEMBL8749242 0.70 GAA (0.43) LMNATP53HTTMEN1KMT2A
SCHEMBL17755077 0.69 FFAR1 (0.56) LMNATP53HTTEEF2KMEN1
SCHEMBL11820560 0.69 TDP1 (0.44) EEF2KMEN1KMT2AALDH1A1
SCHEMBL27671813 0.68 LMNA (0.57) LMNATP53HTTMEN1KMT2A

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
US-4469688-A INSECTICIDES, MITICIDES UNION CARBIDE CORPORATION (US) 1984-09-04 US disclosed