SCHEMBL25804229

SCHEMBL25804229

CC1(NC(=O)COc2ccc(Cl)c(Cl)c2)CC(C)(Nc2cnc(C(F)(F)F)cn2)C1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 13/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HCRTR1 O43613 2/20 0.38
▸ HCRTR2 O43614 1/20 0.38

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
SCHEMBL25804240 0.93 ATF4 (0.51) ATF4
SCHEMBL22956153 0.91 ATF4 (0.40) ATF4ALDH1A1GAAHCRTR1HCRTR2
SCHEMBL19556074 0.87 ATF4 (0.52) ATF4
SCHEMBL22628203 0.85 ATF4 (0.42) ATF4ALDH1A1GAAHCRTR1HCRTR2
SCHEMBL22956127 0.84 ATF4 (0.49) ATF4
SCHEMBL22669465 0.83 ATF4 (0.39) ATF4ALDH1A1GAA
SCHEMBL19555443 0.80 ATF4 (0.51) ATF4
SCHEMBL19556397 0.80 ATF4 (0.61) ATF4
SCHEMBL22628172 0.78 ATF4 (0.51) ATF4
SCHEMBL19556366 0.78 ATF4 (0.54) ATF4

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
EP-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 — — EP disclosed
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