SCHEMBL20632005

SCHEMBL20632005

CCN(C)CC(O)NC12CC(NC(=O)COc3ccc(Cl)cc3)(C1)C2

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 14/20 0.66
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL20610413 0.85 ATF4 (0.74) ATF4KDM4EMAPTMEN1KMT2A
SCHEMBL20974142 0.81 ATF4 (1.00) ATF4MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL20610367 0.80 ATF4 (0.86) ATF4MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL23182497 0.80 ATF4 (0.76) ATF4KMT2ANPC1TSHRRAB9A
SCHEMBL20610456 0.79 ATF4 (0.80) ATF4MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL20610335 0.79 ATF4 (0.70) ATF4KDM4EMAPTMEN1KMT2A
SCHEMBL20610386 0.78 ATF4 (0.82) ATF4MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL20610315 0.78 ATF4 (0.82) ATF4MAPTMEN1KMT2AALDH1A1
SCHEMBL20610415 0.78 ATF4 (0.72) ATF4MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL20610318 0.78 ATF4 (0.86) ATF4MEN1KMT2AALDH1A1L3MBTL1

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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