SCHEMBL20631998

SCHEMBL20631998

CCCNCC(=O)NC12CC1(NC(=O)COc1ccc(Cl)cc1)C2

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 10/20 0.59
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL23357941 0.91 ATF4 (0.74) ATF4KDM4EALDH1A1MEN1KMT2A
SCHEMBL20631266 0.88 ATF4 (0.56) ATF4KDM4EALDH1A1MEN1KMT2A
SCHEMBL20631594 0.83 ATF4 (0.69) ATF4KDM4EALDH1A1MEN1KMT2A
SCHEMBL23357898 0.81 ATF4 (0.78) ATF4KDM4EALDH1A1MEN1KMT2A
SCHEMBL23383884 0.79 ATF4 (0.70) ATF4KDM4EALDH1A1MEN1KMT2A
SCHEMBL20631999 0.79 ATF4 (0.50) ATF4ALDH1A1
SCHEMBL19569414 0.76 ATF4 (0.75) ATF4ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL20631957 0.76 ATF4 (0.60) ATF4ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23383880 0.75 ATF4 (0.82) ATF4KDM4EALDH1A1MEN1KMT2A
SCHEMBL20610386 0.75 ATF4 (0.82) ATF4ALDH1A1MEN1KMT2AL3MBTL1

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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