SCHEMBL20630624

SCHEMBL20630624

C[C@@H](NCC(=O)NC1CC(NC(=O)COc2ccc(Cl)cc2)C1)C1CC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 5/20 0.63
▸ KMT2A Q03164 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47

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
SCHEMBL17658644 0.84 ATF4 (0.82) ATF4KMT2ALMNAALDH1A1
SCHEMBL17658585 0.84 ATF4 (0.82) ATF4KMT2ALMNAALDH1A1
SCHEMBL20610313 0.82 ATF4 (0.67) ATF4KMT2A
SCHEMBL20610312 0.82 ATF4 (0.67) ATF4KMT2A
SCHEMBL20630623 0.81 ATF4 (0.47) ATF4KMT2AL3MBTL1
SCHEMBL16082980 0.79 ATF4 (1.00) ATF4KMT2ALMNAALDH1A1
SCHEMBL16083047 0.79 ATF4 (1.00) ATF4KMT2ALMNAALDH1A1
SCHEMBL16082988 0.79 ATF4 (1.00) ATF4KMT2ALMNAALDH1A1
SCHEMBL20631300 0.78 ATF4 (0.77) ATF4KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL17658709 0.78 ATF4 (0.82) ATF4KMT2AL3MBTL1LMNA

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-2019008506-A1 N-(3-(2-(4-CHLOROPHENOXY)ACETAMIDO)BICYCLO[1.1.1]PENTAN-1-YL)-2-CYCLOBUTANE-1-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ATF4 INHIBITORS FOR TREATING CANCER AND OTHER DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-10 — — WO disclosed
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